5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide

C16H18ClN5O — CID 56816145

IUPAC5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC2CCN(c3ccccn3)CC2)c(Cl)c1
InChIInChI=1S/C16H18ClN5O/c17-13-9-11(15(18)23)10-20-16(13)21-12-4-7-22(8-5-12)14-3-1-2-6-19-14/h1-3,6,9-10,12H,4-5,7-8H2,(H2,18,23)(H,20,21)
InChIKeyFTOSUYFHBRKWNC-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.31
Rot. Bonds4

About 5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide

5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 56816145) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide
PubChem CID56816145
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide
SMILESNC(=O)c1cnc(NC2CCN(c3ccccn3)CC2)c(Cl)c1
InChIInChI=1S/C16H18ClN5O/c17-13-9-11(15(18)23)10-20-16(13)21-12-4-7-22(8-5-12)14-3-1-2-6-19-14/h1-3,6,9-10,12H,4-5,7-8H2,(H2,18,23)(H,20,21)
InChIKeyFTOSUYFHBRKWNC-UHFFFAOYSA-N
XLogP2.31
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
2-Chloro-N11-ethyl-N5-methyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453326
Dipyridodiazepinone deriv. 14
CID 463143
Dipyridodiazepinone deriv. 15
CID 463144
Dipyridodiazepinone deriv. 21
CID 463148
5-Chloro-2-ethyl-9-methyl-13-[(phenylamino)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470669
5-Chloro-2-ethyl-9-methyl-13-{[methyl(phenyl)amino]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470674
13-{[(3-Aminophenyl)amino]methyl}-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470675
13-[2-(2-Aminopyridin-4-yl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470751
6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(2-ethylpiperidin-1-yl)methanone
CID 23725698
(5-Chloro-6-((6-methylpyridin-3-yl)amino)pyridin-3-yl)-((2R)-2-ethylpiperidin-1-yl)methanone
CID 23725699

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide (CID 56816145) is 5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide is NC(=O)c1cnc(NC2CCN(c3ccccn3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is FTOSUYFHBRKWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c17-13-9-11(15(18)23)10-20-16(13)21-12-4-7-22(8-5-12)14-3-1-2-6-19-14/h1-3,6,9-10,12H,4-5,7-8H2,(H2,18,23)(H,20,21).
What are the key properties of 5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide?
5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 331.81 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 56816145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).