N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C17H19N3O2 — CID 17482365

IUPACN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C17H19N3O2/c1-12-11-13(20-9-2-3-10-20)6-7-15(12)19-17(22)14-5-4-8-18-16(14)21/h4-8,11H,2-3,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyYCCWUYFUTJVQCI-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.54
Rot. Bonds3

About N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide

N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 17482365) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID17482365
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C17H19N3O2/c1-12-11-13(20-9-2-3-10-20)6-7-15(12)19-17(22)14-5-4-8-18-16(14)21/h4-8,11H,2-3,9-10H2,1H3,(H,18,21)(H,19,22)
InChIKeyYCCWUYFUTJVQCI-UHFFFAOYSA-N
XLogP2.54
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
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

N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-nitrobenzamide
CID 42157070
2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 42038603
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 106685905
3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
CID 41399571
3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157817
N-(3-morpholin-4-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 71938580
1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
CID 78904439
(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
CID 97305240
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924
3,5-dimethyl-N-[2-(2-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]benzamide
CID 42039688
4-bromo-N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 78895818

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 17482365) is N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YCCWUYFUTJVQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-11-13(20-9-2-3-10-20)6-7-15(12)19-17(22)14-5-4-8-18-16(14)21/h4-8,11H,2-3,9-10H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 17482365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).