5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide

C12H17ClN4O — CID 62854972

IUPAC5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
SMILESCN(CC1CCC1)C(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C12H17ClN4O/c1-17(7-8-3-2-4-8)12(18)9-5-10(13)11(16-14)15-6-9/h5-6,8H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyHIQXWPKKZCJVFN-UHFFFAOYSA-N
MW268.75 g/mol
LogP1.89
Rot. Bonds4

About 5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide

5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide (PubChem CID 62854972) has the molecular formula C12H17ClN4O and a molecular weight of 268.75 g/mol. Its IUPAC name is 5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
PubChem CID62854972
Molecular FormulaC12H17ClN4O
Molecular Weight268.75 g/mol
Exact Mass268.11
IUPAC Name5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
SMILESCN(CC1CCC1)C(=O)c1cnc(NN)c(Cl)c1
InChIInChI=1S/C12H17ClN4O/c1-17(7-8-3-2-4-8)12(18)9-5-10(13)11(16-14)15-6-9/h5-6,8H,2-4,7,14H2,1H3,(H,15,16)
InChIKeyHIQXWPKKZCJVFN-UHFFFAOYSA-N
XLogP1.89
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-chloro-6-hydrazinyl-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 63862804
6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707112
5-chloro-N-cyclopropyl-6-hydrazinyl-N-propylpyridine-3-carboxamide
CID 62243745
N-(cyclobutylmethyl)-5-hydrazinyl-N-methylpyrazine-2-carboxamide
CID 107378190
5-chloro-N-(2-ethoxyethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 81073870
5-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-(ethylamino)pyridine-3-carboxamide
CID 64522048
5-chloro-6-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 79311186
5-chloro-6-hydrazinyl-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 62249151
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890279
N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62244049
5-chloro-N-cyclopropyl-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62238262
3,4-dichloro-N-(cyclobutylmethyl)-N-methyl-5-nitrobenzamide
CID 62862378

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide (CID 62854972) is 5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide is CN(CC1CCC1)C(=O)c1cnc(NN)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide?
The InChIKey is HIQXWPKKZCJVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O/c1-17(7-8-3-2-4-8)12(18)9-5-10(13)11(16-14)15-6-9/h5-6,8H,2-4,7,14H2,1H3,(H,15,16).
What are the key properties of 5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide?
5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide has a molecular weight of 268.75 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 62854972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).