N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide

C101H105F5N12O9 — CID 167608981

IUPACN-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)nc2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cn2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cn2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cn2)cc1F
InChIInChI=1S/C26H28FN3O2.C25H25F2N3O2.C25H26FN3O3.C25H26FN3O2/c1-5-6-26(32)30(4)24-13-10-20(15-22(24)27)23-12-9-21(16-28-23)25(31)14-11-19-8-7-17(2)29-18(19)3;1-4-5-25(32)30(3)22-11-7-18(14-20(22)26)21-10-6-19(15-28-21)23(31)12-8-17-9-13-24(27)29-16(17)2;1-4-5-25(31)29(2)22-11-9-18(14-20(22)26)21-10-8-19(16-27-21)23(30)12-6-17-7-13-24(32-3)28-15-17;1-4-5-25(31)29(3)23-12-10-19(14-21(23)26)20-9-11-22(28-16-20)24(30)13-8-18-7-6-17(2)27-15-18/h7-10,12-13,15-16H,5-6,11,14H2,1-4H3;6-7,9-11,13-15H,4-5,8,12H2,1-3H3;7-11,13-16H,4-6,12H2,1-3H3;6-7,9-12,14-16H,4-5,8,13H2,1-3H3
InChIKeyKTVUKSRNPFTWNJ-UHFFFAOYSA-N
MW1726.02 g/mol
LogP20.83
Rot. Bonds33

About N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide

N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide (PubChem CID 167608981) has the molecular formula C101H105F5N12O9 and a molecular weight of 1726.02 g/mol. Its IUPAC name is N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide
PubChem CID167608981
Molecular FormulaC101H105F5N12O9
Molecular Weight1726.02 g/mol
Exact Mass1724.80
IUPAC NameN-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide
SMILESCCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)nc2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cn2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cn2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cn2)cc1F
InChIInChI=1S/C26H28FN3O2.C25H25F2N3O2.C25H26FN3O3.C25H26FN3O2/c1-5-6-26(32)30(4)24-13-10-20(15-22(24)27)23-12-9-21(16-28-23)25(31)14-11-19-8-7-17(2)29-18(19)3;1-4-5-25(32)30(3)22-11-7-18(14-20(22)26)21-10-6-19(15-28-21)23(31)12-8-17-9-13-24(27)29-16(17)2;1-4-5-25(31)29(2)22-11-9-18(14-20(22)26)21-10-8-19(16-27-21)23(30)12-6-17-7-13-24(32-3)28-15-17;1-4-5-25(31)29(3)23-12-10-19(14-21(23)26)20-9-11-22(28-16-20)24(30)13-8-18-7-6-17(2)27-15-18/h7-10,12-13,15-16H,5-6,11,14H2,1-4H3;6-7,9-11,13-15H,4-5,8,12H2,1-3H3;7-11,13-16H,4-6,12H2,1-3H3;6-7,9-12,14-16H,4-5,8,13H2,1-3H3
InChIKeyKTVUKSRNPFTWNJ-UHFFFAOYSA-N
XLogP20.83
TPSA261.87 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds33
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001726.02
LogP ≤ 520.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide with MolForge

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Related Compounds

N-(4-(4-methoxyphenyl)phenyl)-5-(4-(4-fluorobenzyl)piperazine-1-carbonyl)picolinamide
CID 56653411
5-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)picolinamide
CID 66710337
N-(1-(3-fluoro-4-methoxybenzyl) piperidin-4-yl)-6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710480
5-(4-(3,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)picolinamide
CID 66710605
6-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)nicotinamide
CID 66710714
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methyl-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710720
N-(6-(4-fluorophenoxy)pyridin-3-yl)-6-(4-(4-(4-methylpiperazin-1-yl)benzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710727
N-(6-(4-fluorophenoxy)pyridin-3-yl)-5-(4-(4-morpholinobenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710846
6-(4-(4-(4-methylpiperazin-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710318
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)-N-methylnicotinamide
CID 66710662
2-[6-(4-Fluorophenoxy)-3-pyridinyl]-1-[5-[4-(4-morpholin-4-ylbenzoyl)piperidine-1-carbonyl]-2-pyridinyl]ethanone
CID 58073133
1-[6-[4-(4-Pyrrolidin-1-ylbenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 58073135

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide?
The IUPAC name of N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide (CID 167608981) is N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide.
What is the SMILES notation for N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide?
The canonical SMILES for N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide is CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3)nc2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cn2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(F)nc3C)cn2)cc1F.CCCC(=O)N(C)c1ccc(-c2ccc(C(=O)CCc3ccc(OC)nc3)cn2)cc1F.
What is the InChIKey of N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide?
The InChIKey is KTVUKSRNPFTWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2.C25H25F2N3O2.C25H26FN3O3.C25H26FN3O2/c1-5-6-26(32)30(4)24-13-10-20(15-22(24)27)23-12-9-21(16-28-23)25(31)14-11-19-8-7-17(2)29-18(19)3;1-4-5-25(32)30(3)22-11-7-18(14-20(22)26)21-10-6-19(15-28-21)23(31)12-8-17-9-13-24(27)29-16(17)2;1-4-5-25(31)29(2)22-11-9-18(14-20(22)26)21-10-8-19(16-27-21)23(30)12-6-17-7-13-24(32-3)28-15-17;1-4-5-25(31)29(3)23-12-10-19(14-21(23)26)20-9-11-22(28-16-20)24(30)13-8-18-7-6-17(2)27-15-18/h7-10,12-13,15-16H,5-6,11,14H2,1-4H3;6-7,9-11,13-15H,4-5,8,12H2,1-3H3;7-11,13-16H,4-6,12H2,1-3H3;6-7,9-12,14-16H,4-5,8,13H2,1-3H3.
What are the key properties of N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide?
N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide has a molecular weight of 1726.02 g/mol, XLogP of 20.83, 33 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-2-pyridinyl]-2-fluorophenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylbutanamide;N-[2-fluoro-4-[6-[3-(6-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]-N-methylbutanamide is sourced from PubChem (CID 167608981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).