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

C14H10ClFN4O — CID 25025054

IUPAC5-chloro-1-[(3-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(F)cc(C#N)c1
InChIInChI=1S/C14H10ClFN4O/c15-10-4-12(14(19)21)13(18)20(7-10)6-9-1-8(5-17)2-11(16)3-9/h1-4,7,18H,6H2,(H2,19,21)/b18-13-
InChIKeyQEZRTEURPZGQTJ-AQTBWJFISA-N
MW304.71 g/mol
LogP1.78
Rot. Bonds3

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

5-chloro-1-[(3-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide (PubChem CID 25025054) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 5-chloro-1-[(3-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(3-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
PubChem CID25025054
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name5-chloro-1-[(3-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(F)cc(C#N)c1
InChIInChI=1S/C14H10ClFN4O/c15-10-4-12(14(19)21)13(18)20(7-10)6-9-1-8(5-17)2-11(16)3-9/h1-4,7,18H,6H2,(H2,19,21)/b18-13-
InChIKeyQEZRTEURPZGQTJ-AQTBWJFISA-N
XLogP1.78
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 51.78
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-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(3-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide (CID 25025054) is 5-chloro-1-[(3-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(3-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(3-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cc(F)cc(C#N)c1.
What is the InChIKey of 5-chloro-1-[(3-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The InChIKey is QEZRTEURPZGQTJ-AQTBWJFISA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-10-4-12(14(19)21)13(18)20(7-10)6-9-1-8(5-17)2-11(16)3-9/h1-4,7,18H,6H2,(H2,19,21)/b18-13-.
What are the key properties of 5-chloro-1-[(3-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide?
5-chloro-1-[(3-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide has a molecular weight of 304.71 g/mol, XLogP of 1.78, 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-cyano-5-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 25025054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).