N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide

C20H17ClN6O — CID 133334649

IUPACN-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)Nc2cccc(Cl)c2)cn1)c1nnc2ccccn12
InChIInChI=1S/C20H17ClN6O/c1-13(19-26-25-18-7-2-3-10-27(18)19)23-17-9-8-14(12-22-17)20(28)24-16-6-4-5-15(21)11-16/h2-13H,1H3,(H,22,23)(H,24,28)
InChIKeyJWZPCGVFAGOUBL-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.20
Rot. Bonds5

About N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide

N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide (PubChem CID 133334649) has the molecular formula C20H17ClN6O and a molecular weight of 392.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide
PubChem CID133334649
Molecular FormulaC20H17ClN6O
Molecular Weight392.85 g/mol
Exact Mass392.12
IUPAC NameN-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide
SMILESCC(Nc1ccc(C(=O)Nc2cccc(Cl)c2)cn1)c1nnc2ccccn12
InChIInChI=1S/C20H17ClN6O/c1-13(19-26-25-18-7-2-3-10-27(18)19)23-17-9-8-14(12-22-17)20(28)24-16-6-4-5-15(21)11-16/h2-13H,1H3,(H,22,23)(H,24,28)
InChIKeyJWZPCGVFAGOUBL-UHFFFAOYSA-N
XLogP4.20
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138
3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
N-(3-chloro-4-fluorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156144
6-(4-acetylanilino)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109163447
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
N-(3-chlorophenyl)-6-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156799
N-(3-chlorophenyl)-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 109158234
N-(3-chlorophenyl)-6-[(4-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 109156937
N-(3-chlorophenyl)-6-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155987
6-(3,5-dichloroanilino)-N-phenylpyridine-3-carboxamide
CID 109162127
methyl 4-[[6-(3-chloroanilino)pyridine-3-carbonyl]amino]benzoate
CID 109163419

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide (CID 133334649) is N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide is CC(Nc1ccc(C(=O)Nc2cccc(Cl)c2)cn1)c1nnc2ccccn12.
What is the InChIKey of N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide?
The InChIKey is JWZPCGVFAGOUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN6O/c1-13(19-26-25-18-7-2-3-10-27(18)19)23-17-9-8-14(12-22-17)20(28)24-16-6-4-5-15(21)11-16/h2-13H,1H3,(H,22,23)(H,24,28).
What are the key properties of N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide?
N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133334649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).