5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide

C22H17N5O4 — CID 135699107

IUPAC5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide
SMILESCc1c(C(N)=O)c(O)n(C)c(=O)c1/C=c1/c(C)c(C#N)c2nc3ccccc3n2c1=O
InChIInChI=1S/C22H17N5O4/c1-10-12(8-13-11(2)17(18(24)28)22(31)26(3)20(13)29)21(30)27-16-7-5-4-6-15(16)25-19(27)14(10)9-23/h4-8,31H,1-3H3,(H2,24,28)/b12-8-
InChIKeyQJHWZUUFPPHKDY-WQLSENKSSA-N
MW415.41 g/mol
LogP0.39
Rot. Bonds2

About 5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide

5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 135699107) has the molecular formula C22H17N5O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide
PubChem CID135699107
Molecular FormulaC22H17N5O4
Molecular Weight415.41 g/mol
Exact Mass415.13
IUPAC Name5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide
SMILESCc1c(C(N)=O)c(O)n(C)c(=O)c1/C=c1/c(C)c(C#N)c2nc3ccccc3n2c1=O
InChIInChI=1S/C22H17N5O4/c1-10-12(8-13-11(2)17(18(24)28)22(31)26(3)20(13)29)21(30)27-16-7-5-4-6-15(16)25-19(27)14(10)9-23/h4-8,31H,1-3H3,(H2,24,28)/b12-8-
InChIKeyQJHWZUUFPPHKDY-WQLSENKSSA-N
XLogP0.39
TPSA143.48 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide (CID 135699107) is 5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide is Cc1c(C(N)=O)c(O)n(C)c(=O)c1/C=c1/c(C)c(C#N)c2nc3ccccc3n2c1=O.
What is the InChIKey of 5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide?
The InChIKey is QJHWZUUFPPHKDY-WQLSENKSSA-N. The full InChI is InChI=1S/C22H17N5O4/c1-10-12(8-13-11(2)17(18(24)28)22(31)26(3)20(13)29)21(30)27-16-7-5-4-6-15(16)25-19(27)14(10)9-23/h4-8,31H,1-3H3,(H2,24,28)/b12-8-.
What are the key properties of 5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide?
5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 415.41 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-(4-cyano-3-methyl-1-oxopyrido[1,2-a]benzimidazol-2-ylidene)methyl]-2-hydroxy-1,4-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 135699107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).