2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide

C12H18ClN3O2 — CID 109478884

IUPAC2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide
SMILESCCC(CCO)NC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C12H18ClN3O2/c1-3-9(4-5-17)15-12(18)8-6-10(13)16-11(7-8)14-2/h6-7,9,17H,3-5H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyJGHPHZGYRYUATQ-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.67
Rot. Bonds6

About 2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 109478884) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID109478884
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide
SMILESCCC(CCO)NC(=O)c1cc(Cl)nc(NC)c1
InChIInChI=1S/C12H18ClN3O2/c1-3-9(4-5-17)15-12(18)8-6-10(13)16-11(7-8)14-2/h6-7,9,17H,3-5H2,1-2H3,(H,14,16)(H,15,18)
InChIKeyJGHPHZGYRYUATQ-UHFFFAOYSA-N
XLogP1.67
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.67
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-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide
CID 109478985
2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
CID 62200290
2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide
CID 62236411
2-chloro-6-(methylamino)-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 62169675
2-chloro-N-(3-ethyl-2-hydroxypentyl)-6-(methylamino)pyridine-4-carboxamide
CID 111115777
2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 106153622
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62177585
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-6-(methylamino)pyridine-4-carboxamide
CID 115679300
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
CID 115649303
5-chloro-N-(1-hydroxypentan-3-yl)pyrazine-2-carboxamide
CID 107258073
2,6-dichloro-N-pent-1-yn-3-ylpyridine-4-carboxamide
CID 103579292
N-(4-amino-4-oxobutyl)-2-chloro-6-(methylamino)pyridine-4-carboxamide
CID 62179327

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide (CID 109478884) is 2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide is CCC(CCO)NC(=O)c1cc(Cl)nc(NC)c1.
What is the InChIKey of 2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is JGHPHZGYRYUATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-3-9(4-5-17)15-12(18)8-6-10(13)16-11(7-8)14-2/h6-7,9,17H,3-5H2,1-2H3,(H,14,16)(H,15,18).
What are the key properties of 2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109478884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).