6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide

C16H27N3O2 — CID 111447882

IUPAC6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCC(C)CC(C)O)cn1
InChIInChI=1S/C16H27N3O2/c1-5-19(6-2)15-8-7-14(11-17-15)16(21)18-10-12(3)9-13(4)20/h7-8,11-13,20H,5-6,9-10H2,1-4H3,(H,18,21)
InChIKeyRWVSDVOEBOPPCW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.06
Rot. Bonds8

About 6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide

6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide (PubChem CID 111447882) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
PubChem CID111447882
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(C(=O)NCC(C)CC(C)O)cn1
InChIInChI=1S/C16H27N3O2/c1-5-19(6-2)15-8-7-14(11-17-15)16(21)18-10-12(3)9-13(4)20/h7-8,11-13,20H,5-6,9-10H2,1-4H3,(H,18,21)
InChIKeyRWVSDVOEBOPPCW-UHFFFAOYSA-N
XLogP2.06
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 119997079
6-(diethylamino)-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 110907815
N-[(2R)-2-(ethylamino)propyl]-6-[ethyl(propyl)amino]pyridine-3-carboxamide
CID 120652365
6-(diethylamino)-N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 48679016
6-(diethylamino)-N-pentan-2-ylpyridine-3-carboxamide
CID 47080109
6-(diethylamino)-N-(1-methylcyclohexyl)pyridine-3-carboxamide
CID 86847937
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123
N-(3-amino-2-methylpropyl)-6-(dimethylamino)pyridine-3-carboxamide
CID 119996612
6-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)pyridine-3-carboxamide
CID 111471680
methyl 4-[[6-(diethylamino)pyridine-3-carbonyl]amino]benzoate
CID 48650816
6-(dimethylamino)-N-(2-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 103771018
N-ethyl-6-[[(2S)-2-hydroxypropyl]-methylamino]pyridine-3-carboxamide
CID 99778610

Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide?
The IUPAC name of 6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide (CID 111447882) is 6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide is CCN(CC)c1ccc(C(=O)NCC(C)CC(C)O)cn1.
What is the InChIKey of 6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide?
The InChIKey is RWVSDVOEBOPPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-19(6-2)15-8-7-14(11-17-15)16(21)18-10-12(3)9-13(4)20/h7-8,11-13,20H,5-6,9-10H2,1-4H3,(H,18,21).
What are the key properties of 6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide?
6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide is sourced from PubChem (CID 111447882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).