N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide

C27H29N5O4 — CID 146456123

About N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide

N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 146456123) has the molecular formula C27H29N5O4 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

• Compound Name: N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide
• PubChem CID: 146456123
• Molecular Formula: C27H29N5O4
• Molecular Weight: 487.56 g/mol
• Exact Mass: 487.22
• IUPAC Name: N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide
• SMILES: [H]/N=c1\n(C)ccn1Cc1cc(C(=O)NCc2cc(OC)cc(OC)c2)cc(-c2c[nH]c(=O)cc2C)c1
• InChI: InChI=1S/C27H29N5O4/c1-17-7-25(33)29-15-24(17)20-8-19(16-32-6-5-31(2)27(32)28)9-21(12-20)26(34)30-14-18-10-22(35-3)13-23(11-18)36-4/h5-13,15,28H,14,16H2,1-4H3,(H,29,33)(H,30,34)/b28-27+
• InChIKey: KUGOCEVEYMAAHD-BYYHNAKLSA-N
• XLogP: 2.97
• TPSA: 114.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.56
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide?

The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide (CID 146456123) is N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide.

What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide?

The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide is [H]/N=c1\n(C)ccn1Cc1cc(C(=O)NCc2cc(OC)cc(OC)c2)cc(-c2c[nH]c(=O)cc2C)c1.

What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide?

The InChIKey is KUGOCEVEYMAAHD-BYYHNAKLSA-N. The full InChI is InChI=1S/C27H29N5O4/c1-17-7-25(33)29-15-24(17)20-8-19(16-32-6-5-31(2)27(32)28)9-21(12-20)26(34)30-14-18-10-22(35-3)13-23(11-18)36-4/h5-13,15,28H,14,16H2,1-4H3,(H,29,33)(H,30,34)/b28-27+.

What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide?

N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 487.56 g/mol, XLogP of 2.97, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-dimethoxyphenyl)methyl]-3-[(2-imino-3-methylimidazol-1-yl)methyl]-5-(4-methyl-6-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 146456123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).