1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide

C26H22ClN5O2 — CID 23292057

IUPAC1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide
SMILESN#Cc1ccc(Cn2cncc2CCNC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C26H22ClN5O2/c27-23-3-1-2-21(12-23)16-31-17-22(8-9-25(31)33)26(34)30-11-10-24-14-29-18-32(24)15-20-6-4-19(13-28)5-7-20/h1-9,12,14,17-18H,10-11,15-16H2,(H,30,34)
InChIKeyDESGOHRRYFEAHX-UHFFFAOYSA-N
MW471.95 g/mol
LogP3.64
Rot. Bonds8

About 1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide

1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide (PubChem CID 23292057) has the molecular formula C26H22ClN5O2 and a molecular weight of 471.95 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide
PubChem CID23292057
Molecular FormulaC26H22ClN5O2
Molecular Weight471.95 g/mol
Exact Mass471.15
IUPAC Name1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide
SMILESN#Cc1ccc(Cn2cncc2CCNC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C26H22ClN5O2/c27-23-3-1-2-21(12-23)16-31-17-22(8-9-25(31)33)26(34)30-11-10-24-14-29-18-32(24)15-20-6-4-19(13-28)5-7-20/h1-9,12,14,17-18H,10-11,15-16H2,(H,30,34)
InChIKeyDESGOHRRYFEAHX-UHFFFAOYSA-N
XLogP3.64
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.95
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide (CID 23292057) is 1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide is N#Cc1ccc(Cn2cncc2CCNC(=O)c2ccc(=O)n(Cc3cccc(Cl)c3)c2)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide?
The InChIKey is DESGOHRRYFEAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5O2/c27-23-3-1-2-21(12-23)16-31-17-22(8-9-25(31)33)26(34)30-11-10-24-14-29-18-32(24)15-20-6-4-19(13-28)5-7-20/h1-9,12,14,17-18H,10-11,15-16H2,(H,30,34).
What are the key properties of 1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide?
1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 471.95 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-N-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 23292057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).