2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide

C17H16ClN3O3 — CID 714823

IUPAC2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1cc(C#N)c(NC(=O)c2cccnc2Cl)cc1OCC
InChIInChI=1S/C17H16ClN3O3/c1-3-23-14-8-11(10-19)13(9-15(14)24-4-2)21-17(22)12-6-5-7-20-16(12)18/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyMDVXPVNOHFSCGL-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.66
Rot. Bonds6

About 2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide

2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide (PubChem CID 714823) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is 2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide
PubChem CID714823
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC Name2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide
SMILESCCOc1cc(C#N)c(NC(=O)c2cccnc2Cl)cc1OCC
InChIInChI=1S/C17H16ClN3O3/c1-3-23-14-8-11(10-19)13(9-15(14)24-4-2)21-17(22)12-6-5-7-20-16(12)18/h5-9H,3-4H2,1-2H3,(H,21,22)
InChIKeyMDVXPVNOHFSCGL-UHFFFAOYSA-N
XLogP3.66
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Chlorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 22170205
2-(4-chlorophenoxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)nicotinamide
CID 2815400
N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide
CID 715260
N-(3-Chloro-4-pyridinyl)-3-(cyclopentyloxy)-4-methoxybenzamide
CID 10383026
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 773692
N-(1,3-dioxaindan-5-yl)-6-chloropyridine-3-carboxamide
CID 2081675
1-[(2,3-Dihydro-1,4-benzodioxin-6-yl)carbamoyl]ethyl 2-chloropyridine-3-carboxylate
CID 3548266
[(2,3-Dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl 2-chloropyridine-3-carboxylate
CID 3567960
4-(4-Chlorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 44570852
[2-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 8017368
N-[4-methoxy-3-(2-methylpropoxy)phenyl]pyridine-3-carboxamide
CID 743159
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethoxypyridine-3-carboxamide
CID 2116583

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide (CID 714823) is 2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide is CCOc1cc(C#N)c(NC(=O)c2cccnc2Cl)cc1OCC.
What is the InChIKey of 2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is MDVXPVNOHFSCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-3-23-14-8-11(10-19)13(9-15(14)24-4-2)21-17(22)12-6-5-7-20-16(12)18/h5-9H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide?
2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 345.79 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyano-4,5-diethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 714823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).