N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide

C25H24N4O4 — CID 155921720

IUPACN-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide
SMILESCOc1cc(CNC(=O)c2cc(Cn3ccnc3)cc(C3C=CC(=O)N=C3)c2)cc(OC)c1
InChIInChI=1S/C25H24N4O4/c1-32-22-9-17(10-23(12-22)33-2)13-28-25(31)21-8-18(15-29-6-5-26-16-29)7-20(11-21)19-3-4-24(30)27-14-19/h3-12,14,16,19H,13,15H2,1-2H3,(H,28,31)
InChIKeyOSOMELCKGBKLSC-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.13
Rot. Bonds8

About N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide

N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide (PubChem CID 155921720) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide
PubChem CID155921720
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide
SMILESCOc1cc(CNC(=O)c2cc(Cn3ccnc3)cc(C3C=CC(=O)N=C3)c2)cc(OC)c1
InChIInChI=1S/C25H24N4O4/c1-32-22-9-17(10-23(12-22)33-2)13-28-25(31)21-8-18(15-29-6-5-26-16-29)7-20(11-21)19-3-4-24(30)27-14-19/h3-12,14,16,19H,13,15H2,1-2H3,(H,28,31)
InChIKeyOSOMELCKGBKLSC-UHFFFAOYSA-N
XLogP3.13
TPSA94.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide (CID 155921720) is N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide is COc1cc(CNC(=O)c2cc(Cn3ccnc3)cc(C3C=CC(=O)N=C3)c2)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide?
The InChIKey is OSOMELCKGBKLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-32-22-9-17(10-23(12-22)33-2)13-28-25(31)21-8-18(15-29-6-5-26-16-29)7-20(11-21)19-3-4-24(30)27-14-19/h3-12,14,16,19H,13,15H2,1-2H3,(H,28,31).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide?
N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide has a molecular weight of 444.49 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-3-(imidazol-1-ylmethyl)-5-(6-oxo-3H-pyridin-3-yl)benzamide is sourced from PubChem (CID 155921720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).