4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

C16H18N4O — CID 43704451

IUPAC4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C16H18N4O/c17-13-5-3-12(4-6-13)16(21)19-14-7-8-15(18-11-14)20-9-1-2-10-20/h3-8,11H,1-2,9-10,17H2,(H,19,21)
InChIKeyIQLOVKGHWSULJP-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.52
Rot. Bonds3

About 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (PubChem CID 43704451) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
PubChem CID43704451
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESNc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C16H18N4O/c17-13-5-3-12(4-6-13)16(21)19-14-7-8-15(18-11-14)20-9-1-2-10-20/h3-8,11H,1-2,9-10,17H2,(H,19,21)
InChIKeyIQLOVKGHWSULJP-UHFFFAOYSA-N
XLogP2.52
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
N-(6-amino-3-pyridinyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119515290
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
4-(benzenesulfonamido)-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 30217600
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 30267342
N-(6-piperidin-1-yl-3-pyridinyl)-2H-benzotriazole-5-carboxamide
CID 18144011
6-(cyclopropylamino)-N-(6-piperidin-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 56799221
4-bromobenzoic acid;4-bromo-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide;ethane;6-(4-methylpiperazin-1-yl)pyridin-3-amine
CID 158371704
3-nitro-4-pyrrolidin-1-yl-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 38854366
2-amino-4-methyl-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 62794614

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (CID 43704451) is 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is Nc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1.
What is the InChIKey of 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is IQLOVKGHWSULJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c17-13-5-3-12(4-6-13)16(21)19-14-7-8-15(18-11-14)20-9-1-2-10-20/h3-8,11H,1-2,9-10,17H2,(H,19,21).
What are the key properties of 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 282.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 43704451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).