2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide

C12H16ClN3O2 — CID 62177130

IUPAC2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(CCO)C2CC2)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-14-11-7-8(6-10(13)15-11)12(18)16(4-5-17)9-2-3-9/h6-7,9,17H,2-5H2,1H3,(H,14,15)
InChIKeyVEHZUQMGFZOGBI-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.37
Rot. Bonds5

About 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 62177130) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID62177130
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N(CCO)C2CC2)cc(Cl)n1
InChIInChI=1S/C12H16ClN3O2/c1-14-11-7-8(6-10(13)15-11)12(18)16(4-5-17)9-2-3-9/h6-7,9,17H,2-5H2,1H3,(H,14,15)
InChIKeyVEHZUQMGFZOGBI-UHFFFAOYSA-N
XLogP1.37
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-cyclobutyl-6-hydrazinyl-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 102870600
2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide
CID 62169478
2-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-4-carboxamide
CID 62168778
N-benzyl-2-chloro-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide
CID 110910720
2,6-dichloro-N-cyclopropyl-N-(3-methylbutyl)pyridine-4-carboxamide
CID 60782353
2-chloro-N-methyl-6-(methylamino)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 62179291
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 63317161
2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62169890
N-cyclobutyl-N-(2-hydroxyethyl)-6-(methylamino)pyrazine-2-carboxamide
CID 114036115
2-chloro-N-cyclohexyl-N-ethyl-6-hydrazinylpyridine-4-carboxamide
CID 62248666
2-chloro-N-cyclopropyl-6-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62243916
2-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 62542296

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide (CID 62177130) is 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)N(CCO)C2CC2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is VEHZUQMGFZOGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-14-11-7-8(6-10(13)15-11)12(18)16(4-5-17)9-2-3-9/h6-7,9,17H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62177130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).