3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide

C14H15N3O2 — CID 81089949

IUPAC3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1cc(N)cc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C14H15N3O2/c1-19-13-7-11(6-12(15)8-13)14(18)17-9-10-2-4-16-5-3-10/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyUXLPPDFQCCGDEZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.60
Rot. Bonds4

About 3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide

3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 81089949) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
PubChem CID81089949
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1cc(N)cc(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C14H15N3O2/c1-19-13-7-11(6-12(15)8-13)14(18)17-9-10-2-4-16-5-3-10/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyUXLPPDFQCCGDEZ-UHFFFAOYSA-N
XLogP1.60
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.60
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

pyridin-4-ylmethyl 3-amino-5-methoxybenzoate
CID 81091463
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 110851643
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]-5-methoxybenzamide
CID 82733532
3,5-diamino-N-[(3-methoxyphenyl)methyl]benzamide
CID 61102924
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
methyl 2-[(3-amino-5-methoxybenzoyl)amino]acetate
CID 81090884
3-amino-N-(2-amino-2-oxoethyl)-5-methoxybenzamide
CID 81089939
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
3-amino-N-[(3-ethylthiophen-2-yl)methyl]-5-methoxybenzamide
CID 81092223
5-N-(4-methoxyphenyl)-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106154
3-amino-5-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78985256

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide (CID 81089949) is 3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide is COc1cc(N)cc(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is UXLPPDFQCCGDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-13-7-11(6-12(15)8-13)14(18)17-9-10-2-4-16-5-3-10/h2-8H,9,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide?
3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 257.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 81089949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).