5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide

C14H11ClN4O — CID 25025052

IUPAC5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(C#N)c1
InChIInChI=1S/C14H11ClN4O/c15-11-5-12(14(18)20)13(17)19(8-11)7-10-3-1-2-9(4-10)6-16/h1-5,8,17H,7H2,(H2,18,20)/b17-13-
InChIKeyDYAJWGPPARHWFY-LGMDPLHJSA-N
MW286.72 g/mol
LogP1.64
Rot. Bonds3

About 5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide

5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide (PubChem CID 25025052) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
PubChem CID25025052
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(C#N)c1
InChIInChI=1S/C14H11ClN4O/c15-11-5-12(14(18)20)13(17)19(8-11)7-10-3-1-2-9(4-10)6-16/h1-5,8,17H,7H2,(H2,18,20)/b17-13-
InChIKeyDYAJWGPPARHWFY-LGMDPLHJSA-N
XLogP1.64
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide (CID 25025052) is 5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(C#N)c1.
What is the InChIKey of 5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide?
The InChIKey is DYAJWGPPARHWFY-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-11-5-12(14(18)20)13(17)19(8-11)7-10-3-1-2-9(4-10)6-16/h1-5,8,17H,7H2,(H2,18,20)/b17-13-.
What are the key properties of 5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide?
5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 25025052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).