5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide

C21H27N3O — CID 109195369

IUPAC5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(NC3CCCCCC3)cn2)c1C
InChIInChI=1S/C21H27N3O/c1-15-8-7-11-19(16(15)2)24-21(25)20-13-12-18(14-22-20)23-17-9-5-3-4-6-10-17/h7-8,11-14,17,23H,3-6,9-10H2,1-2H3,(H,24,25)
InChIKeyJLCOYQJBIMPHDR-UHFFFAOYSA-N
MW337.47 g/mol
LogP5.09
Rot. Bonds4

About 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide

5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 109195369) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
PubChem CID109195369
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(NC(=O)c2ccc(NC3CCCCCC3)cn2)c1C
InChIInChI=1S/C21H27N3O/c1-15-8-7-11-19(16(15)2)24-21(25)20-13-12-18(14-22-20)23-17-9-5-3-4-6-10-17/h7-8,11-14,17,23H,3-6,9-10H2,1-2H3,(H,24,25)
InChIKeyJLCOYQJBIMPHDR-UHFFFAOYSA-N
XLogP5.09
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.47
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109287578
5-(cyclohexylamino)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109183176
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182452
N-(5-chloro-2-methylphenyl)-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183168
5-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109271849
4-(cyclopropylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide
CID 109201977
5-(cyclohexylamino)-N-phenylpyridine-2-carboxamide
CID 109183141
N-cyclopropyl-5-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109179934
5-(cyclopentylamino)-N-(3,5-dimethylphenyl)pyridine-2-carboxamide
CID 109182436
5-(cyclohexylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179444
5-(cyclohexylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179840
N-(2,3-dimethylphenyl)-5-methylpyrazine-2-carboxamide
CID 16613943

Frequently Asked Questions

What is the IUPAC name of 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide (CID 109195369) is 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide is Cc1cccc(NC(=O)c2ccc(NC3CCCCCC3)cn2)c1C.
What is the InChIKey of 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is JLCOYQJBIMPHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-15-8-7-11-19(16(15)2)24-21(25)20-13-12-18(14-22-20)23-17-9-5-3-4-6-10-17/h7-8,11-14,17,23H,3-6,9-10H2,1-2H3,(H,24,25).
What are the key properties of 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide?
5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 5.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloheptylamino)-N-(2,3-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109195369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).