N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

C18H15ClN4O — CID 10131963

IUPACN-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C18H15ClN4O/c19-14-3-1-4-15(11-14)23-18(24)16-5-2-8-21-17(16)22-12-13-6-9-20-10-7-13/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyBYYGTPFQKSTOIQ-UHFFFAOYSA-N
MW338.80 g/mol
LogP3.99
Rot. Bonds5

About N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide

N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 10131963) has the molecular formula C18H15ClN4O and a molecular weight of 338.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID10131963
Molecular FormulaC18H15ClN4O
Molecular Weight338.80 g/mol
Exact Mass338.09
IUPAC NameN-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccnc1NCc1ccncc1
InChIInChI=1S/C18H15ClN4O/c19-14-3-1-4-15(11-14)23-18(24)16-5-2-8-21-17(16)22-12-13-6-9-20-10-7-13/h1-11H,12H2,(H,21,22)(H,23,24)
InChIKeyBYYGTPFQKSTOIQ-UHFFFAOYSA-N
XLogP3.99
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide
CID 11315474
N-(5-chloropyridin-2-yl)-5-methyl-2-[4-(N-methylethanimidamido)benzamido]benzamide
CID 53374963
Bisanilinopyrimidine, 6p
CID 70702144
N-(3-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 771964
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
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
5-Chloro-2-ethyl-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470666
5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470667
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

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 10131963) is N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1cccnc1NCc1ccncc1.
What is the InChIKey of N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is BYYGTPFQKSTOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O/c19-14-3-1-4-15(11-14)23-18(24)16-5-2-8-21-17(16)22-12-13-6-9-20-10-7-13/h1-11H,12H2,(H,21,22)(H,23,24).
What are the key properties of N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 338.80 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10131963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).