6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

C17H19N3O — CID 38697211

IUPAC6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C17H19N3O/c1-13-5-4-6-16(18-13)17(21)19-14-7-9-15(10-8-14)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,19,21)
InChIKeyMOPXDQLIYUCIPG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.24
Rot. Bonds3

About 6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 38697211) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
PubChem CID38697211
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C17H19N3O/c1-13-5-4-6-16(18-13)17(21)19-14-7-9-15(10-8-14)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,19,21)
InChIKeyMOPXDQLIYUCIPG-UHFFFAOYSA-N
XLogP3.24
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-methoxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 110862104
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
6-N-cyclohexyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,6-dicarboxamide
CID 109095385
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094899
N-(4-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31777667
N-(4-aminophenyl)-6-methylpyridine-2-carboxamide
CID 16784436
N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 110862074
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
6-methyl-N-[4-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)phenyl]pyridine-2-carboxamide
CID 58579570
6-methyl-2-(4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109335106

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (CID 38697211) is 6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is Cc1cccc(C(=O)Nc2ccc(N3CCCC3)cc2)n1.
What is the InChIKey of 6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is MOPXDQLIYUCIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-5-4-6-16(18-13)17(21)19-14-7-9-15(10-8-14)20-11-2-3-12-20/h4-10H,2-3,11-12H2,1H3,(H,19,21).
What are the key properties of 6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 38697211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).