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

C13H12Cl2N4O — CID 89111989

IUPAC1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(Cl)cc1N
InChIInChI=1S/C13H12Cl2N4O/c14-8-2-1-7(11(16)4-8)5-19-6-9(15)3-10(12(19)17)13(18)20/h1-4,6,17H,5,16H2,(H2,18,20)/b17-12-
InChIKeyPTQNMQNDUVLPFM-ATVHPVEESA-N
MW311.17 g/mol
LogP2.00
Rot. Bonds3

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

1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide (PubChem CID 89111989) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is 1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
PubChem CID89111989
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC Name1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(Cl)cc1N
InChIInChI=1S/C13H12Cl2N4O/c14-8-2-1-7(11(16)4-8)5-19-6-9(15)3-10(12(19)17)13(18)20/h1-4,6,17H,5,16H2,(H2,18,20)/b17-12-
InChIKeyPTQNMQNDUVLPFM-ATVHPVEESA-N
XLogP2.00
TPSA97.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]methanesulfinate;hydrochloride
CID 174627708
1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
CID 70994800
methyl N-[2-[(3-carbamoyl-5-chloro-2-imino-1-pyridinyl)methyl]-4-chlorophenyl]carbamate;hydrochloride
CID 141251369
5-chloro-2-imino-1-[(2-methylsulfonylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 66970134
5-chloro-1-[(2,3-difluorophenyl)methyl]-2-iminopyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87534643
5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151575
5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide
CID 68662047
5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151571
5-chloro-1-[(3-chloro-4-cyanophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151671
5-chloro-1-[(4-dimethylsulfinamoylphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 143660736
5-chloro-2-imino-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 59151603
5-chloro-2-imino-1-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 59151563

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
The IUPAC name of 1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide (CID 89111989) is 1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
The canonical SMILES for 1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1ccc(Cl)cc1N.
What is the InChIKey of 1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
The InChIKey is PTQNMQNDUVLPFM-ATVHPVEESA-N. The full InChI is InChI=1S/C13H12Cl2N4O/c14-8-2-1-7(11(16)4-8)5-19-6-9(15)3-10(12(19)17)13(18)20/h1-4,6,17H,5,16H2,(H2,18,20)/b17-12-.
What are the key properties of 1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide?
1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 89111989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).