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

C15H17N3O2 — CID 114954314

IUPAC4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
SMILESCOc1cc(N)ccc1C(=O)NCc1cnccc1C
InChIInChI=1S/C15H17N3O2/c1-10-5-6-17-8-11(10)9-18-15(19)13-4-3-12(16)7-14(13)20-2/h3-8H,9,16H2,1-2H3,(H,18,19)
InChIKeySWPDAALYNDPPIK-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.91
Rot. Bonds4

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

4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 114954314) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
PubChem CID114954314
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
SMILESCOc1cc(N)ccc1C(=O)NCc1cnccc1C
InChIInChI=1S/C15H17N3O2/c1-10-5-6-17-8-11(10)9-18-15(19)13-4-3-12(16)7-14(13)20-2/h3-8H,9,16H2,1-2H3,(H,18,19)
InChIKeySWPDAALYNDPPIK-UHFFFAOYSA-N
XLogP1.91
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.91
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-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955995
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
4-bromo-2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700612
2-fluoro-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 102882143
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114954391
5-amino-N-[(4-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 114954310
2-amino-3-methoxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698208
5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 114957256
N-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 54903114
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
2-bromo-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 107982625
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide (CID 114954314) is 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide is COc1cc(N)ccc1C(=O)NCc1cnccc1C.
What is the InChIKey of 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is SWPDAALYNDPPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-5-6-17-8-11(10)9-18-15(19)13-4-3-12(16)7-14(13)20-2/h3-8H,9,16H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114954314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).