5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide

C13H11Cl2N3O — CID 59151543

IUPAC5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2N3O/c14-9-3-1-8(2-4-9)6-18-7-10(15)5-11(12(18)16)13(17)19/h1-5,7,16H,6H2,(H2,17,19)/b16-12-
InChIKeyFTLQLJNUXOEDBT-VBKFSLOCSA-N
MW296.16 g/mol
LogP2.42
Rot. Bonds3

About 5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide

5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide (PubChem CID 59151543) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide
PubChem CID59151543
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H11Cl2N3O/c14-9-3-1-8(2-4-9)6-18-7-10(15)5-11(12(18)16)13(17)19/h1-5,7,16H,6H2,(H2,17,19)/b16-12-
InChIKeyFTLQLJNUXOEDBT-VBKFSLOCSA-N
XLogP2.42
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide (CID 59151543) is 5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The InChIKey is FTLQLJNUXOEDBT-VBKFSLOCSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-9-3-1-8(2-4-9)6-18-7-10(15)5-11(12(18)16)13(17)19/h1-5,7,16H,6H2,(H2,17,19)/b16-12-.
What are the key properties of 5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide?
5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide has a molecular weight of 296.16 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 59151543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).