3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide

C12H15ClN6O — CID 62248784

IUPAC3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCn1ccnc1CCNC(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C12H15ClN6O/c1-19-7-6-15-10(19)4-5-16-12(20)11-8(13)2-3-9(17-11)18-14/h2-3,6-7H,4-5,14H2,1H3,(H,16,20)(H,17,18)
InChIKeyPPBOHWIOCTWDAG-UHFFFAOYSA-N
MW294.75 g/mol
LogP0.73
Rot. Bonds5

About 3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide

3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide (PubChem CID 62248784) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
PubChem CID62248784
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
SMILESCn1ccnc1CCNC(=O)c1nc(NN)ccc1Cl
InChIInChI=1S/C12H15ClN6O/c1-19-7-6-15-10(19)4-5-16-12(20)11-8(13)2-3-9(17-11)18-14/h2-3,6-7H,4-5,14H2,1H3,(H,16,20)(H,17,18)
InChIKeyPPBOHWIOCTWDAG-UHFFFAOYSA-N
XLogP0.73
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

2-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 62248961
5-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 62248435
3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 63236046
2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 61217931
3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963599
2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114918135
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
3-chloro-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227438
3-chloro-6-hydrazinyl-N-[3-oxo-3-(propylamino)propyl]pyridine-2-carboxamide
CID 62242207
5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 113228022
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
3-chloro-N-[2-(3-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62242329

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide (CID 62248784) is 3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide is Cn1ccnc1CCNC(=O)c1nc(NN)ccc1Cl.
What is the InChIKey of 3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is PPBOHWIOCTWDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6O/c1-19-7-6-15-10(19)4-5-16-12(20)11-8(13)2-3-9(17-11)18-14/h2-3,6-7H,4-5,14H2,1H3,(H,16,20)(H,17,18).
What are the key properties of 3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide?
3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 294.75 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 62248784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).