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

C13H11Cl2N3O — CID 25025048

IUPAC5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c14-9-3-1-2-8(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-
InChIKeyXBOZRWCAHANAOC-VBKFSLOCSA-N
MW296.16 g/mol
LogP2.42
Rot. Bonds3

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

5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide (PubChem CID 25025048) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide
PubChem CID25025048
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(Cl)c1
InChIInChI=1S/C13H11Cl2N3O/c14-9-3-1-2-8(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-
InChIKeyXBOZRWCAHANAOC-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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Related Compounds

5-Chloro-1-[(3-chloro-5-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 25025244
5-Chloro-1-[1-(3-chlorophenyl)ethyl]-2-imino-1,2-dihydropyridine-3-carboxamide
CID 44469973
1-Benzyl-5-chloro-2-iminopyridine-3-carboxamide
CID 1070749
1-Benzyl-5-bromo-2-iminopyridine-3-carboxamide
CID 13442845
1-[(3-Carbamoyl-5-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
CID 57929587
5-Chloro-2-imino-1-(2-phenylethyl)pyridine-3-carboxamide
CID 59151542
5-Chloro-1-[(4-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151543
5-Chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 59151583
5-Chloro-1-[(2-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151610
5-Chloro-1-[(5-chloro-2-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151621
5-Chloro-2-imino-1-(3-phenylpropyl)pyridine-3-carboxamide
CID 59151651
5-Chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151671

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide (CID 25025048) is 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(Cl)c1.
What is the InChIKey of 5-chloro-1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The InChIKey is XBOZRWCAHANAOC-VBKFSLOCSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-9-3-1-2-8(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-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide?
5-chloro-1-[(3-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-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 25025048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).