3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide

C13H12Cl2N4O — CID 62532452

IUPAC3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)NCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H12Cl2N4O/c14-9-3-1-2-8(6-9)7-17-13(20)12-10(15)4-5-11(18-12)19-16/h1-6H,7,16H2,(H,17,20)(H,18,19)
InChIKeyCGXABELSHICISH-UHFFFAOYSA-N
MW311.17 g/mol
LogP2.60
Rot. Bonds4

About 3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide

3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide (PubChem CID 62532452) has the molecular formula C13H12Cl2N4O and a molecular weight of 311.17 g/mol. Its IUPAC name is 3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
PubChem CID62532452
Molecular FormulaC13H12Cl2N4O
Molecular Weight311.17 g/mol
Exact Mass310.04
IUPAC Name3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)NCc2cccc(Cl)c2)n1
InChIInChI=1S/C13H12Cl2N4O/c14-9-3-1-2-8(6-9)7-17-13(20)12-10(15)4-5-11(18-12)19-16/h1-6H,7,16H2,(H,17,20)(H,18,19)
InChIKeyCGXABELSHICISH-UHFFFAOYSA-N
XLogP2.60
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62312640
3-chloro-N-[2-(3-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62242329
3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 62989223
2,3-dichloro-N-[(3-chlorophenyl)methyl]benzamide
CID 17071308
3-chloro-6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62522719
N-[(3-chloro-4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62533307
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
5-chloro-N-[(3-chlorophenyl)methyl]thiophene-2-carboxamide
CID 9165422
3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64524391
N-[(3-chlorophenyl)methyl]-2-hydroxybenzamide
CID 18105910
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
3-chloro-N-(3,4-dichlorophenyl)-6-hydrazinylpyridine-2-carboxamide
CID 62235808

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide (CID 62532452) is 3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide is NNc1ccc(Cl)c(C(=O)NCc2cccc(Cl)c2)n1.
What is the InChIKey of 3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is CGXABELSHICISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O/c14-9-3-1-2-8(6-9)7-17-13(20)12-10(15)4-5-11(18-12)19-16/h1-6H,7,16H2,(H,17,20)(H,18,19).
What are the key properties of 3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 311.17 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62532452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).