N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide

C108H118F3N9O9 — CID 167550311

IUPACN-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
SMILESCCC(=O)N(CC(C)C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)cc2)cc1.CCC(=O)N(CC(C)C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)cc2)cc1.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)cc2)cc1F.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1F
InChIInChI=1S/C28H32N2O2.C27H29FN2O3.C27H29FN2O2.C26H28FN3O2/c1-5-28(32)30(19-20(2)3)26-15-12-24(13-16-26)23-8-10-25(11-9-23)27(31)17-14-22-7-6-18-29-21(22)4;1-4-16-30(27(32)5-2)24-13-12-22(17-23(24)28)20-8-10-21(11-9-20)25(31)14-6-19-7-15-26(33-3)29-18-19;1-4-26(32)30(18-19(2)3)24-14-11-21(12-15-24)20-7-9-22(10-8-20)25(31)16-13-23-6-5-17-29-27(23)28;1-3-15-30(26(32)4-2)23-12-11-21(16-22(23)27)19-7-9-20(10-8-19)24(31)13-5-18-6-14-25(28)29-17-18/h6-13,15-16,18,20H,5,14,17,19H2,1-4H3;7-13,15,17-18H,4-6,14,16H2,1-3H3;5-12,14-15,17,19H,4,13,16,18H2,1-3H3;6-12,14,16-17H,3-5,13,15H2,1-2H3,(H2,28,29)
InChIKeyCHXSPEGCKDKBEC-UHFFFAOYSA-N
MW1743.18 g/mol
LogP23.68
Rot. Bonds37

About N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide

N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide (PubChem CID 167550311) has the molecular formula C108H118F3N9O9 and a molecular weight of 1743.18 g/mol. Its IUPAC name is N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
PubChem CID167550311
Molecular FormulaC108H118F3N9O9
Molecular Weight1743.18 g/mol
Exact Mass1741.90
IUPAC NameN-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
SMILESCCC(=O)N(CC(C)C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)cc2)cc1.CCC(=O)N(CC(C)C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)cc2)cc1.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)cc2)cc1F.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1F
InChIInChI=1S/C28H32N2O2.C27H29FN2O3.C27H29FN2O2.C26H28FN3O2/c1-5-28(32)30(19-20(2)3)26-15-12-24(13-16-26)23-8-10-25(11-9-23)27(31)17-14-22-7-6-18-29-21(22)4;1-4-16-30(27(32)5-2)24-13-12-22(17-23(24)28)20-8-10-21(11-9-20)25(31)14-6-19-7-15-26(33-3)29-18-19;1-4-26(32)30(18-19(2)3)24-14-11-21(12-15-24)20-7-9-22(10-8-20)25(31)16-13-23-6-5-17-29-27(23)28;1-3-15-30(26(32)4-2)23-12-11-21(16-22(23)27)19-7-9-20(10-8-19)24(31)13-5-18-6-14-25(28)29-17-18/h6-13,15-16,18,20H,5,14,17,19H2,1-4H3;7-13,15,17-18H,4-6,14,16H2,1-3H3;5-12,14-15,17,19H,4,13,16,18H2,1-3H3;6-12,14,16-17H,3-5,13,15H2,1-2H3,(H2,28,29)
InChIKeyCHXSPEGCKDKBEC-UHFFFAOYSA-N
XLogP23.68
TPSA236.33 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds37
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001743.18
LogP ≤ 523.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide with MolForge

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Related Compounds

US11208403, Example 77
CID 129135695
US11208403, Example 74
CID 129135904
[4-(1-Aminoisoquinolin-7-yl)piperidin-1-yl]-[2-fluoro-4-(6-methoxy-3-pyridinyl)phenyl]methanone
CID 67194500
N-[1-[[6-(4-benzamidopiperidin-1-yl)-3-pyridinyl]methyl]piperidin-4-yl]-4-methyl-3-[6-(trifluoromethoxy)-3-pyridinyl]benzamide
CID 118155563
[2-[4-[(6-Methoxypyridin-3-yl)methyl]piperazin-1-yl]quinolin-6-yl]-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118397075
N-[[4-[2-[[3-[[2,6-difluoro-4-(2-methoxy-4-pyridinyl)phenyl]methyl]-4-oxopyrido[3,2-d]pyrimidin-7-yl]methyl-methylamino]-4-pyridinyl]-2,6-difluorophenyl]methyl]-N-[(2-methyl-3-pyridinyl)iminomethyl]formamide
CID 123418379
3-[[2,6-Difluoro-4-(2-methoxy-4-pyridinyl)phenyl]methyl]-7-[[[4-[3,5-difluoro-4-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-methylamino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123779077
3-[[2-Fluoro-4-(2-methoxy-4-pyridinyl)phenyl]methyl]-7-[[[4-[3-fluoro-4-[(4-oxopyrido[2,3-d]pyrimidin-3-yl)methyl]phenyl]-2-pyridinyl]-methylamino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 123835760
[4-(6-Aminopyridin-3-yl)piperidin-1-yl]-[4-methoxy-5-[6-(trifluoromethyl)pyridin-3-yl]pyridin-2-yl]methanone
CID 139424841
N-[(6-amino-4-ethyl-2-methyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide
CID 145206803
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-7-(4-fluoro-6-methoxy-3-pyridinyl)-9,10-dihydroanthracene-2-carboxamide
CID 145206972
3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[(2,4-difluorophenyl)methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-ethyl-N-methylbenzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;3-[[4-(4-acetamidophenyl)pyrimidin-2-yl]amino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;N-[4-[2-[3-(4-acetylpiperazine-1-carbonyl)anilino]pyrimidin-4-yl]phenyl]acetamide
CID 157241863

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide?
The IUPAC name of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide (CID 167550311) is N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide?
The canonical SMILES for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide is CCC(=O)N(CC(C)C)c1ccc(-c2ccc(C(=O)CCc3cccnc3C)cc2)cc1.CCC(=O)N(CC(C)C)c1ccc(-c2ccc(C(=O)CCc3cccnc3F)cc2)cc1.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(N)nc3)cc2)cc1F.CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cc2)cc1F.
What is the InChIKey of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide?
The InChIKey is CHXSPEGCKDKBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2.C27H29FN2O3.C27H29FN2O2.C26H28FN3O2/c1-5-28(32)30(19-20(2)3)26-15-12-24(13-16-26)23-8-10-25(11-9-23)27(31)17-14-22-7-6-18-29-21(22)4;1-4-16-30(27(32)5-2)24-13-12-22(17-23(24)28)20-8-10-21(11-9-20)25(31)14-6-19-7-15-26(33-3)29-18-19;1-4-26(32)30(18-19(2)3)24-14-11-21(12-15-24)20-7-9-22(10-8-20)25(31)16-13-23-6-5-17-29-27(23)28;1-3-15-30(26(32)4-2)23-12-11-21(16-22(23)27)19-7-9-20(10-8-19)24(31)13-5-18-6-14-25(28)29-17-18/h6-13,15-16,18,20H,5,14,17,19H2,1-4H3;7-13,15,17-18H,4-6,14,16H2,1-3H3;5-12,14-15,17,19H,4,13,16,18H2,1-3H3;6-12,14,16-17H,3-5,13,15H2,1-2H3,(H2,28,29).
What are the key properties of N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide?
N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide has a molecular weight of 1743.18 g/mol, XLogP of 23.68, 37 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(6-amino-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-propylpropanamide;N-[2-fluoro-4-[4-[3-(6-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide;N-[4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methylpropyl)propanamide;N-(2-methylpropyl)-N-[4-[4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide is sourced from PubChem (CID 167550311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).