2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide

C13H16ClN5O2 — CID 79231949

IUPAC2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C13H16ClN5O2/c1-6(12-7(2)19-21-8(12)3)16-13(20)9-4-10(14)17-11(5-9)18-15/h4-6H,15H2,1-3H3,(H,16,20)(H,17,18)
InChIKeyUMQABIYMAYOQFI-UHFFFAOYSA-N
MW309.76 g/mol
LogP2.12
Rot. Bonds4

About 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide

2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide (PubChem CID 79231949) has the molecular formula C13H16ClN5O2 and a molecular weight of 309.76 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide
PubChem CID79231949
Molecular FormulaC13H16ClN5O2
Molecular Weight309.76 g/mol
Exact Mass309.10
IUPAC Name2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)c1cc(Cl)nc(NN)c1
InChIInChI=1S/C13H16ClN5O2/c1-6(12-7(2)19-21-8(12)3)16-13(20)9-4-10(14)17-11(5-9)18-15/h4-6H,15H2,1-3H3,(H,16,20)(H,17,18)
InChIKeyUMQABIYMAYOQFI-UHFFFAOYSA-N
XLogP2.12
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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'}

Analyze 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-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-chloro-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 62248978
3-bromo-5-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103826943
2-chloro-6-hydrazinyl-N-(1-phenylethyl)pyridine-4-carboxamide
CID 62248298
N-(1-amino-1-oxopropan-2-yl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62243041
5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78961181
3-bromo-4-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103842001
2-chloro-6-hydrazinyl-N-(5-methyl-1,2-oxazol-3-yl)pyridine-4-carboxamide
CID 62248114
4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]benzoic acid
CID 79230846
2-chloro-6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 62238242
4-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methoxybenzamide
CID 104783070
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-sulfanylbenzamide
CID 107032009
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 78961509

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide (CID 79231949) is 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide is Cc1noc(C)c1C(C)NC(=O)c1cc(Cl)nc(NN)c1.
What is the InChIKey of 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide?
The InChIKey is UMQABIYMAYOQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O2/c1-6(12-7(2)19-21-8(12)3)16-13(20)9-4-10(14)17-11(5-9)18-15/h4-6H,15H2,1-3H3,(H,16,20)(H,17,18).
What are the key properties of 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide?
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide has a molecular weight of 309.76 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-6-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 79231949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).