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

C20H15ClN4O — CID 109177682

IUPAC2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ccn1
InChIInChI=1S/C20H15ClN4O/c1-13-9-16(21)5-6-18(13)25-19-11-15(7-8-23-19)20(26)24-17-4-2-3-14(10-17)12-22/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyHFQHIXXFRMISJP-UHFFFAOYSA-N
MW362.82 g/mol
LogP4.91
Rot. Bonds4

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

2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide (PubChem CID 109177682) has the molecular formula C20H15ClN4O and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
PubChem CID109177682
Molecular FormulaC20H15ClN4O
Molecular Weight362.82 g/mol
Exact Mass362.09
IUPAC Name2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
SMILESCc1cc(Cl)ccc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ccn1
InChIInChI=1S/C20H15ClN4O/c1-13-9-16(21)5-6-18(13)25-19-11-15(7-8-23-19)20(26)24-17-4-2-3-14(10-17)12-22/h2-11H,1H3,(H,23,25)(H,24,26)
InChIKeyHFQHIXXFRMISJP-UHFFFAOYSA-N
XLogP4.91
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177849
N-(4-chloro-2-methylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109177662
2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178943
6-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)-2-methylpyrimidine-4-carboxamide
CID 112850277
2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
2-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092850
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177129
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178798
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
4-N-(3-cyanophenyl)-2-N-(2,5-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109091863
N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177184
4-N-(4-chloro-2-methylphenyl)-2-N-(4-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092935

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide (CID 109177682) is 2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide is Cc1cc(Cl)ccc1Nc1cc(C(=O)Nc2cccc(C#N)c2)ccn1.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
The InChIKey is HFQHIXXFRMISJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4O/c1-13-9-16(21)5-6-18(13)25-19-11-15(7-8-23-19)20(26)24-17-4-2-3-14(10-17)12-22/h2-11H,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide?
2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide has a molecular weight of 362.82 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109177682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).