4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide

C14H11ClN4O — CID 81245335

IUPAC4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)Nc2cc(C#N)ccc2Cl)cn1
InChIInChI=1S/C14H11ClN4O/c1-8-4-12(17)10(7-18-8)14(20)19-13-5-9(6-16)2-3-11(13)15/h2-5,7H,1H3,(H2,17,18)(H,19,20)
InChIKeyUMYOLHUSNSMPCN-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.75
Rot. Bonds2

About 4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide

4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide (PubChem CID 81245335) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide
PubChem CID81245335
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide
SMILESCc1cc(N)c(C(=O)Nc2cc(C#N)ccc2Cl)cn1
InChIInChI=1S/C14H11ClN4O/c1-8-4-12(17)10(7-18-8)14(20)19-13-5-9(6-16)2-3-11(13)15/h2-5,7H,1H3,(H2,17,18)(H,19,20)
InChIKeyUMYOLHUSNSMPCN-UHFFFAOYSA-N
XLogP2.75
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(5-cyano-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81226761
4-amino-N-(2-chloro-5-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81242456
2-amino-5-chloro-N-(2-chloro-5-cyanophenyl)pyridine-4-carboxamide
CID 114924132
2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide
CID 114922463
4-amino-N-(5-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81233570
4-amino-N-(2,6-dichlorophenyl)-6-methylpyridine-3-carboxamide
CID 81245380
4-amino-N-(2,6-dichloro-3-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81235599
4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide
CID 81240870
4-amino-N-(5-chloro-2-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81233986
N-(2-chloro-5-cyanophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641827
4-amino-N,6-dimethylpyridine-3-carboxamide
CID 81236701
N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 78965569

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide (CID 81245335) is 4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide is Cc1cc(N)c(C(=O)Nc2cc(C#N)ccc2Cl)cn1.
What is the InChIKey of 4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide?
The InChIKey is UMYOLHUSNSMPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-8-4-12(17)10(7-18-8)14(20)19-13-5-9(6-16)2-3-11(13)15/h2-5,7H,1H3,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide?
4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-5-cyanophenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 81245335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).