N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide

C17H20N4O — CID 119516134

IUPACN-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(N2CCCC2)c(C(=O)Nc2ccc(N)nc2)c1
InChIInChI=1S/C17H20N4O/c1-12-4-6-15(21-8-2-3-9-21)14(10-12)17(22)20-13-5-7-16(18)19-11-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,18,19)(H,20,22)
InChIKeySEYRPXRRAKKABC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.82
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide

N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 119516134) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
PubChem CID119516134
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide
SMILESCc1ccc(N2CCCC2)c(C(=O)Nc2ccc(N)nc2)c1
InChIInChI=1S/C17H20N4O/c1-12-4-6-15(21-8-2-3-9-21)14(10-12)17(22)20-13-5-7-16(18)19-11-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,18,19)(H,20,22)
InChIKeySEYRPXRRAKKABC-UHFFFAOYSA-N
XLogP2.82
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
5-methyl-N-(7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-3-yl)-2-pyrrolidin-1-ylbenzamide
CID 167849852
1-(5-methyl-2-piperidin-1-ylphenyl)ethanone
CID 117309750
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
5-amino-N-(4-ethylphenyl)-2-piperidin-1-ylbenzamide
CID 118569665
2,7-dimethyl-N-(6-piperidin-1-yl-3-pyridinyl)quinoline-3-carboxamide
CID 55651955
N-(6-amino-3-pyridinyl)-4-bromo-2-methylbenzamide
CID 62901139
2-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]propanoic acid
CID 119348543
N-[3-[(4-methylphenyl)carbamoyl]-4-piperidin-1-ylphenyl]furan-2-carboxamide
CID 1320461
N-[4-(aminomethyl)phenyl]-5-fluoro-2-pyrrolidin-1-ylbenzamide
CID 167442574
N-(6-amino-3-pyridinyl)-3-tert-butyl-1-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119515976
N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91676435

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide (CID 119516134) is N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide is Cc1ccc(N2CCCC2)c(C(=O)Nc2ccc(N)nc2)c1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is SEYRPXRRAKKABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-4-6-15(21-8-2-3-9-21)14(10-12)17(22)20-13-5-7-16(18)19-11-13/h4-7,10-11H,2-3,8-9H2,1H3,(H2,18,19)(H,20,22).
What are the key properties of N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide?
N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-5-methyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 119516134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).