[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate

C74H89F3N20O7 — CID 159457668

IUPAC[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)CC1.NCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)C1.NCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)CC1.Nc1ncccc1C(=O)c1cccc(N2CCC(NC(=O)CC(F)(F)F)CC2)n1
InChIInChI=1S/C22H29N5O3.C19H20F3N5O2.C17H21N5O.C16H19N5O/c1-22(2,3)30-21(29)25-14-15-9-12-27(13-10-15)18-8-4-7-17(26-18)19(28)16-6-5-11-24-20(16)23;20-19(21,22)11-16(28)25-12-6-9-27(10-7-12)15-5-1-4-14(26-15)17(29)13-3-2-8-24-18(13)23;18-11-12-6-9-22(10-7-12)15-5-1-4-14(21-15)16(23)13-3-2-8-20-17(13)19;17-9-11-6-8-21(10-11)14-5-1-4-13(20-14)15(22)12-3-2-7-19-16(12)18/h4-8,11,15H,9-10,12-14H2,1-3H3,(H2,23,24)(H,25,29);1-5,8,12H,6-7,9-11H2,(H2,23,24)(H,25,28);1-5,8,12H,6-7,9-11,18H2,(H2,19,20);1-5,7,11H,6,8-10,17H2,(H2,18,19)
InChIKeyLUENXMPQHCBCPP-UHFFFAOYSA-N
MW1427.65 g/mol
LogP7.90
Rot. Bonds18

About [6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate

[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate (PubChem CID 159457668) has the molecular formula C74H89F3N20O7 and a molecular weight of 1427.65 g/mol. Its IUPAC name is [6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Name[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
PubChem CID159457668
Molecular FormulaC74H89F3N20O7
Molecular Weight1427.65 g/mol
Exact Mass1426.72
IUPAC Name[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)CC1.NCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)C1.NCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)CC1.Nc1ncccc1C(=O)c1cccc(N2CCC(NC(=O)CC(F)(F)F)CC2)n1
InChIInChI=1S/C22H29N5O3.C19H20F3N5O2.C17H21N5O.C16H19N5O/c1-22(2,3)30-21(29)25-14-15-9-12-27(13-10-15)18-8-4-7-17(26-18)19(28)16-6-5-11-24-20(16)23;20-19(21,22)11-16(28)25-12-6-9-27(10-7-12)15-5-1-4-14(26-15)17(29)13-3-2-8-24-18(13)23;18-11-12-6-9-22(10-7-12)15-5-1-4-14(21-15)16(23)13-3-2-8-20-17(13)19;17-9-11-6-8-21(10-11)14-5-1-4-13(20-14)15(22)12-3-2-7-19-16(12)18/h4-8,11,15H,9-10,12-14H2,1-3H3,(H2,23,24)(H,25,29);1-5,8,12H,6-7,9-11H2,(H2,23,24)(H,25,28);1-5,8,12H,6-7,9-11,18H2,(H2,19,20);1-5,7,11H,6,8-10,17H2,(H2,18,19)
InChIKeyLUENXMPQHCBCPP-UHFFFAOYSA-N
XLogP7.90
TPSA407.91 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001427.65
LogP ≤ 57.90
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze [6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate with MolForge

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Related Compounds

NX-5948
CID 156464216
1-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-2-pyridin-3-ylethanone
CID 119099002
Tert-butyl 4-[6-[[4-(1-butan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 166629492
Tert-butyl 4-[6-[[5-fluoro-4-(5-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 166634073
Tert-butyl 4-[6-[[5-fluoro-4-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 166634215
(6-Fluoroquinolin-3-yl)(4-(4-methyl-6-(4-(trifluoromethyl)pyridin-2-ylamino)-2,3'-bipyridin-6'-ylamino)piperidin-1-yl)methanone
CID 71003456
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyrazolidin-4-ylphenyl)methanone
CID 119098934
[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 119098944
[2-(4-Methylpiperazin-1-yl)phenyl]-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098945
(2,8-Dimethylquinolin-3-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098946
4-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide
CID 119098948
3-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidine-1-carbonyl]benzamide
CID 119098952

Frequently Asked Questions

What is the IUPAC name of [6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of [6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate (CID 159457668) is [6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for [6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for [6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)CC1.NCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)C1.NCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)CC1.Nc1ncccc1C(=O)c1cccc(N2CCC(NC(=O)CC(F)(F)F)CC2)n1.
What is the InChIKey of [6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is LUENXMPQHCBCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3.C19H20F3N5O2.C17H21N5O.C16H19N5O/c1-22(2,3)30-21(29)25-14-15-9-12-27(13-10-15)18-8-4-7-17(26-18)19(28)16-6-5-11-24-20(16)23;20-19(21,22)11-16(28)25-12-6-9-27(10-7-12)15-5-1-4-14(26-15)17(29)13-3-2-8-24-18(13)23;18-11-12-6-9-22(10-7-12)15-5-1-4-14(21-15)16(23)13-3-2-8-20-17(13)19;17-9-11-6-8-21(10-11)14-5-1-4-13(20-14)15(22)12-3-2-7-19-16(12)18/h4-8,11,15H,9-10,12-14H2,1-3H3,(H2,23,24)(H,25,29);1-5,8,12H,6-7,9-11H2,(H2,23,24)(H,25,28);1-5,8,12H,6-7,9-11,18H2,(H2,19,20);1-5,7,11H,6,8-10,17H2,(H2,18,19).
What are the key properties of [6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate?
[6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 1427.65 g/mol, XLogP of 7.90, 18 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(aminomethyl)piperidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[3-(aminomethyl)pyrrolidin-1-yl]-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;N-[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]-3,3,3-trifluoropropanamide;tert-butyl N-[[1-[6-(2-aminopyridine-3-carbonyl)-2-pyridinyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 159457668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).