1-benzyl-5-chloro-2-iminopyridine-3-carboxamide

C13H12ClN3O — CID 1070749

IUPAC1-benzyl-5-chloro-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccccc1
InChIInChI=1S/C13H12ClN3O/c14-10-6-11(13(16)18)12(15)17(8-10)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,16,18)/b15-12-
InChIKeyQAAPGSLXWSJEEX-QINSGFPZSA-N
MW261.71 g/mol
LogP1.77
Rot. Bonds3

About 1-benzyl-5-chloro-2-iminopyridine-3-carboxamide

1-benzyl-5-chloro-2-iminopyridine-3-carboxamide (PubChem CID 1070749) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 1-benzyl-5-chloro-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-2-iminopyridine-3-carboxamide
PubChem CID1070749
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name1-benzyl-5-chloro-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccccc1
InChIInChI=1S/C13H12ClN3O/c14-10-6-11(13(16)18)12(15)17(8-10)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,16,18)/b15-12-
InChIKeyQAAPGSLXWSJEEX-QINSGFPZSA-N
XLogP1.77
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-2-iminopyridine-3-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-2-iminopyridine-3-carboxamide (CID 1070749) is 1-benzyl-5-chloro-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-2-iminopyridine-3-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-chloro-2-iminopyridine-3-carboxamide?
The InChIKey is QAAPGSLXWSJEEX-QINSGFPZSA-N. The full InChI is InChI=1S/C13H12ClN3O/c14-10-6-11(13(16)18)12(15)17(8-10)7-9-4-2-1-3-5-9/h1-6,8,15H,7H2,(H2,16,18)/b15-12-.
What are the key properties of 1-benzyl-5-chloro-2-iminopyridine-3-carboxamide?
1-benzyl-5-chloro-2-iminopyridine-3-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 1070749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).