2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide

C14H16ClN5O — CID 62236339

IUPAC2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(Cl)nc(NN)c2)cc1
InChIInChI=1S/C14H16ClN5O/c1-20(2)11-5-3-10(4-6-11)17-14(21)9-7-12(15)18-13(8-9)19-16/h3-8H,16H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyPLNQRYXASWGOBS-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.34
Rot. Bonds4

About 2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide

2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide (PubChem CID 62236339) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide
PubChem CID62236339
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(Cl)nc(NN)c2)cc1
InChIInChI=1S/C14H16ClN5O/c1-20(2)11-5-3-10(4-6-11)17-14(21)9-7-12(15)18-13(8-9)19-16/h3-8H,16H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyPLNQRYXASWGOBS-UHFFFAOYSA-N
XLogP2.34
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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-N-(4-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 55052514
2-chloro-6-hydrazinyl-N-[4-(2-hydroxyethyl)phenyl]pyridine-4-carboxamide
CID 62236979
2-chloro-N-(3-chloro-4-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62242916
2-chloro-6-hydrazinyl-N-methyl-N-(4-methylphenyl)pyridine-4-carboxamide
CID 62249266
N-(4-chlorophenyl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 113379184
2-chloro-6-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
CID 62242493
N-[4-(dimethylamino)phenyl]-3,5-dimethylbenzamide
CID 918563
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
2-chloro-6-hydrazinyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 62248114
2-chloro-N-(2,3-dimethylphenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62241615
methyl 4-[(2,6-dichloropyridine-4-carbonyl)amino]benzoate
CID 26098317
2-chloro-6-methoxy-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 84580985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide (CID 62236339) is 2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide is CN(C)c1ccc(NC(=O)c2cc(Cl)nc(NN)c2)cc1.
What is the InChIKey of 2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide?
The InChIKey is PLNQRYXASWGOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-20(2)11-5-3-10(4-6-11)17-14(21)9-7-12(15)18-13(8-9)19-16/h3-8H,16H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide?
2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(dimethylamino)phenyl]-6-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 62236339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).