3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide

C25H26N6O2 — CID 146455839

IUPAC3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide
SMILES[H]/N=c1\n(C)ccn1Cc1cc(C(=O)NCc2ccnc(OC)c2)cc(-c2cccnc2C)c1
InChIInChI=1S/C25H26N6O2/c1-17-22(5-4-7-27-17)20-11-19(16-31-10-9-30(2)25(31)26)12-21(14-20)24(32)29-15-18-6-8-28-23(13-18)33-3/h4-14,26H,15-16H2,1-3H3,(H,29,32)/b26-25+
InChIKeyIWYMVXNIEXGOMP-OCEACIFDSA-N
MW442.52 g/mol
LogP3.06
Rot. Bonds7

About 3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide

3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide (PubChem CID 146455839) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide
PubChem CID146455839
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide
SMILES[H]/N=c1\n(C)ccn1Cc1cc(C(=O)NCc2ccnc(OC)c2)cc(-c2cccnc2C)c1
InChIInChI=1S/C25H26N6O2/c1-17-22(5-4-7-27-17)20-11-19(16-31-10-9-30(2)25(31)26)12-21(14-20)24(32)29-15-18-6-8-28-23(13-18)33-3/h4-14,26H,15-16H2,1-3H3,(H,29,32)/b26-25+
InChIKeyIWYMVXNIEXGOMP-OCEACIFDSA-N
XLogP3.06
TPSA97.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide (CID 146455839) is 3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide is [H]/N=c1\n(C)ccn1Cc1cc(C(=O)NCc2ccnc(OC)c2)cc(-c2cccnc2C)c1.
What is the InChIKey of 3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide?
The InChIKey is IWYMVXNIEXGOMP-OCEACIFDSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-17-22(5-4-7-27-17)20-11-19(16-31-10-9-30(2)25(31)26)12-21(14-20)24(32)29-15-18-6-8-28-23(13-18)33-3/h4-14,26H,15-16H2,1-3H3,(H,29,32)/b26-25+.
What are the key properties of 3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide?
3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide has a molecular weight of 442.52 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-imino-3-methylimidazol-1-yl)methyl]-N-[(2-methoxy-4-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 146455839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).