3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide

C14H15N3O2 — CID 62072661

IUPAC3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cccc(N)c2)ccn1
InChIInChI=1S/C14H15N3O2/c1-19-13-7-10(5-6-16-13)9-17-14(18)11-3-2-4-12(15)8-11/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyYOQSXBZCOAPARV-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.60
Rot. Bonds4

About 3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide

3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide (PubChem CID 62072661) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
PubChem CID62072661
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cccc(N)c2)ccn1
InChIInChI=1S/C14H15N3O2/c1-19-13-7-10(5-6-16-13)9-17-14(18)11-3-2-4-12(15)8-11/h2-8H,9,15H2,1H3,(H,17,18)
InChIKeyYOQSXBZCOAPARV-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

4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 82783281
6-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62073001
5-amino-2-bromo-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62990194
2-amino-6-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 81394679
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
CID 62990733
N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 25343533
tert-butyl N-[3-[(2-methoxy-4-pyridinyl)methylcarbamoyl]phenyl]carbamate
CID 55539748
1-N-[(3-aminophenyl)methyl]-3-N-[(3-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10293708
N-[(2-methoxy-4-pyridinyl)methyl]-1H-indazole-6-carboxamide
CID 60721835
4-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62991671

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The IUPAC name of 3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide (CID 62072661) is 3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide is COc1cc(CNC(=O)c2cccc(N)c2)ccn1.
What is the InChIKey of 3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
The InChIKey is YOQSXBZCOAPARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-19-13-7-10(5-6-16-13)9-17-14(18)11-3-2-4-12(15)8-11/h2-8H,9,15H2,1H3,(H,17,18).
What are the key properties of 3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide?
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]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-N-[(2-methoxy-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 62072661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).