4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide

C21H17ClN4O2 — CID 109222674

IUPAC4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C21H17ClN4O2/c1-13-8-18(20(28-2)11-17(13)22)25-16-6-7-24-19(10-16)21(27)26-15-5-3-4-14(9-15)12-23/h3-11H,1-2H3,(H,24,25)(H,26,27)
InChIKeyQVPYWUSEPQHIBV-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.92
Rot. Bonds5

About 4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide

4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide (PubChem CID 109222674) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
PubChem CID109222674
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC Name4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C21H17ClN4O2/c1-13-8-18(20(28-2)11-17(13)22)25-16-6-7-24-19(10-16)21(27)26-15-5-3-4-14(9-15)12-23/h3-11H,1-2H3,(H,24,25)(H,26,27)
InChIKeyQVPYWUSEPQHIBV-UHFFFAOYSA-N
XLogP4.92
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221390
4-(2-chloro-4,6-dimethylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109221354
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
methyl 4-[[2-[(3-cyanophenyl)carbamoyl]-4-pyridinyl]amino]benzoate
CID 109222315
4-(4-cyanoanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109222713
4-(3-cyanoanilino)-N-phenylpyridine-2-carboxamide
CID 109218825
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyridine-2-carboxamide
CID 109204886
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210740
N-(3-cyanophenyl)-4-(2-ethyl-6-methylanilino)pyridine-2-carboxamide
CID 109220395
N-(4-chloro-2-methoxy-5-methylphenyl)-4-hydrazinylpyridine-2-carboxamide
CID 62238327
N-(3-chloro-4-methylphenyl)-4-(4-cyanoanilino)pyridine-2-carboxamide
CID 109221263
5-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide
CID 109199613

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide (CID 109222674) is 4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide is COc1cc(Cl)c(C)cc1Nc1ccnc(C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
The InChIKey is QVPYWUSEPQHIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-13-8-18(20(28-2)11-17(13)22)25-16-6-7-24-19(10-16)21(27)26-15-5-3-4-14(9-15)12-23/h3-11H,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide?
4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-5-methylanilino)-N-(3-cyanophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109222674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).