2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide

C13H14ClN5O — CID 114701884

IUPAC2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1cnccc1CNC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C13H14ClN5O/c1-8-6-16-3-2-9(8)7-17-13(20)10-4-11(14)18-12(5-10)19-15/h2-6H,7,15H2,1H3,(H,17,20)(H,18,19)
InChIKeyPCVWJEVOPKDRLA-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.65
Rot. Bonds4

About 2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide

2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 114701884) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID114701884
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCc1cnccc1CNC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C13H14ClN5O/c1-8-6-16-3-2-9(8)7-17-13(20)10-4-11(14)18-12(5-10)19-15/h2-6H,7,15H2,1H3,(H,17,20)(H,18,19)
InChIKeyPCVWJEVOPKDRLA-UHFFFAOYSA-N
XLogP1.65
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 114701806
2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide
CID 114699468
5-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114701879
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
2-chloro-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114700702
3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698144
2-chloro-6-hydrazinyl-N-[(2-methylpyrimidin-4-yl)methyl]pyridine-4-carboxamide
CID 62236272
3,4,5-trifluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114699471
2-chloro-6-hydrazinyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridine-4-carboxamide
CID 62248382
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62241958
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 114700611
N-(2-amino-2-oxoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62248286

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide (CID 114701884) is 2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide is Cc1cnccc1CNC(=O)c1cc(Cl)nc(NN)c1.
What is the InChIKey of 2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is PCVWJEVOPKDRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c1-8-6-16-3-2-9(8)7-17-13(20)10-4-11(14)18-12(5-10)19-15/h2-6H,7,15H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide?
2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.65, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hydrazinyl-N-[(3-methyl-4-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114701884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).