2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide

C13H20ClN3O2 — CID 111447865

IUPAC2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC(C)CC(C)O)cc(Cl)n1
InChIInChI=1S/C13H20ClN3O2/c1-8(4-9(2)18)7-16-13(19)10-5-11(14)17-12(6-10)15-3/h5-6,8-9,18H,4,7H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyZOLBYNFRSOAXGB-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.91
Rot. Bonds6

About 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 111447865) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID111447865
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NCC(C)CC(C)O)cc(Cl)n1
InChIInChI=1S/C13H20ClN3O2/c1-8(4-9(2)18)7-16-13(19)10-5-11(14)17-12(6-10)15-3/h5-6,8-9,18H,4,7H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyZOLBYNFRSOAXGB-UHFFFAOYSA-N
XLogP1.91
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.91
H-Bond Donors ≤ 53
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-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111115777
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
CID 115649303
2-chloro-6-hydrazinyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 62692731
2-chloro-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 62169675
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62179327
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62177585
2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
CID 62200290
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-N-(2-hydroxy-4-methylpentyl)-6-methylpyridine-4-carboxamide
CID 104955122
2-chloro-N-(furan-3-ylmethyl)-6-(methylamino)pyridine-4-carboxamide
CID 113234494
N-(3-butoxypropyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 115620351
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide (CID 111447865) is 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NCC(C)CC(C)O)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is ZOLBYNFRSOAXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-8(4-9(2)18)7-16-13(19)10-5-11(14)17-12(6-10)15-3/h5-6,8-9,18H,4,7H2,1-3H3,(H,15,17)(H,16,19).
What are the key properties of 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 285.78 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 111447865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).