2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide

C17H20N4O — CID 119946403

IUPAC2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C17H20N4O/c18-15-6-2-1-5-14(15)17(22)20-12-13-7-8-19-16(11-13)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12,18H2,(H,20,22)
InChIKeyNLWNZDTWRLGEPJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.19
Rot. Bonds4

About 2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide

2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide (PubChem CID 119946403) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
PubChem CID119946403
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
SMILESNc1ccccc1C(=O)NCc1ccnc(N2CCCC2)c1
InChIInChI=1S/C17H20N4O/c18-15-6-2-1-5-14(15)17(22)20-12-13-7-8-19-16(11-13)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12,18H2,(H,20,22)
InChIKeyNLWNZDTWRLGEPJ-UHFFFAOYSA-N
XLogP2.19
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.19
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

2-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946399
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
2-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]benzamide;dihydrochloride
CID 119946489
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
2-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 134004428
2-methyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 36754760
3-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]propanamide
CID 119841583
2-amino-2-phenyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]acetamide
CID 119841340
2-hydroxy-2-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 111432227
N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 37311675
3-bromo-2-hydroxy-5-methyl-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]benzamide
CID 71888974
2-pyridin-4-yl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]quinoline-4-carboxamide
CID 55533813

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide (CID 119946403) is 2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide is Nc1ccccc1C(=O)NCc1ccnc(N2CCCC2)c1.
What is the InChIKey of 2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
The InChIKey is NLWNZDTWRLGEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c18-15-6-2-1-5-14(15)17(22)20-12-13-7-8-19-16(11-13)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12,18H2,(H,20,22).
What are the key properties of 2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide?
2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 119946403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).