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

C13H20ClN3O2 — CID 109478985

IUPAC2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide
SMILESCCC(CCO)NC(=O)c1cc(Cl)nc(N(C)C)c1
InChIInChI=1S/C13H20ClN3O2/c1-4-10(5-6-18)15-13(19)9-7-11(14)16-12(8-9)17(2)3/h7-8,10,18H,4-6H2,1-3H3,(H,15,19)
InChIKeyNQRZVIWQKVAAQM-UHFFFAOYSA-N
MW285.77 g/mol
LogP1.69
Rot. Bonds6

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

2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide (PubChem CID 109478985) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide
PubChem CID109478985
Molecular FormulaC13H20ClN3O2
Molecular Weight285.77 g/mol
Exact Mass285.12
IUPAC Name2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide
SMILESCCC(CCO)NC(=O)c1cc(Cl)nc(N(C)C)c1
InChIInChI=1S/C13H20ClN3O2/c1-4-10(5-6-18)15-13(19)9-7-11(14)16-12(8-9)17(2)3/h7-8,10,18H,4-6H2,1-3H3,(H,15,19)
InChIKeyNQRZVIWQKVAAQM-UHFFFAOYSA-N
XLogP1.69
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 51.69
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-(1-hydroxypentan-3-yl)-6-(methylamino)pyridine-4-carboxamide
CID 109478884
2-chloro-N-hexan-3-yl-6-hydrazinylpyridine-4-carboxamide
CID 62236411
2-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-propan-2-ylpyridine-4-carboxamide
CID 106153622
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
2-(dimethylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799343
4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide
CID 110000332
N-(1-hydroxypentan-3-yl)-2-methylquinoline-6-carboxamide
CID 109479102
2-chloro-N-(1-hydroxypentan-3-yl)-4-methylbenzamide
CID 106509851
1-chloro-N-(1-hydroxypentan-3-yl)isoquinoline-4-carboxamide
CID 106766389
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
2-chloro-N-hex-1-yn-3-yl-6-methylpyridine-4-carboxamide
CID 103528396

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide (CID 109478985) is 2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide is CCC(CCO)NC(=O)c1cc(Cl)nc(N(C)C)c1.
What is the InChIKey of 2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide?
The InChIKey is NQRZVIWQKVAAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-4-10(5-6-18)15-13(19)9-7-11(14)16-12(8-9)17(2)3/h7-8,10,18H,4-6H2,1-3H3,(H,15,19).
What are the key properties of 2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide?
2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(dimethylamino)-N-(1-hydroxypentan-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109478985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).