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

C14H17ClN4OS — CID 62247454

IUPAC3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2nc(NN)ccc2Cl)c(C)s1
InChIInChI=1S/C14H17ClN4OS/c1-7-6-10(9(3)21-7)8(2)17-14(20)13-11(15)4-5-12(18-13)19-16/h4-6,8H,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyLRMZMMZYRNEQNY-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.19
Rot. Bonds4

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

3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide (PubChem CID 62247454) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide
PubChem CID62247454
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2nc(NN)ccc2Cl)c(C)s1
InChIInChI=1S/C14H17ClN4OS/c1-7-6-10(9(3)21-7)8(2)17-14(20)13-11(15)4-5-12(18-13)19-16/h4-6,8H,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyLRMZMMZYRNEQNY-UHFFFAOYSA-N
XLogP3.19
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-2-carboxamide
CID 62248813
3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide
CID 95932132
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 104741138
N-[1-(3-bromophenyl)ethyl]-3-chloro-6-hydrazinylpyridine-2-carboxamide
CID 62237380
3-chloro-6-hydrazinyl-N-(3-methylpentan-2-yl)pyridine-2-carboxamide
CID 62249778
3-chloro-N-(1-cyclohexylethyl)-6-hydrazinylpyridine-2-carboxamide
CID 62406912
6-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-2-carboxamide
CID 62239163
3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62175178
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 47168017
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103891941
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 60967175

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide (CID 62247454) is 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide is Cc1cc(C(C)NC(=O)c2nc(NN)ccc2Cl)c(C)s1.
What is the InChIKey of 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is LRMZMMZYRNEQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-7-6-10(9(3)21-7)8(2)17-14(20)13-11(15)4-5-12(18-13)19-16/h4-6,8H,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide?
3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 324.84 g/mol, XLogP of 3.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62247454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).