N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide

C18H29N3O2 — CID 111520136

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cccnc1N1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-14(22)12-18(2,3)13-20-17(23)15-8-7-9-19-16(15)21-10-5-4-6-11-21/h7-9,14,22H,4-6,10-13H2,1-3H3,(H,20,23)
InChIKeyMBKDOVCNGRLZDH-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.60
Rot. Bonds6

About N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 111520136) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID111520136
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1cccnc1N1CCCCC1
InChIInChI=1S/C18H29N3O2/c1-14(22)12-18(2,3)13-20-17(23)15-8-7-9-19-16(15)21-10-5-4-6-11-21/h7-9,14,22H,4-6,10-13H2,1-3H3,(H,20,23)
InChIKeyMBKDOVCNGRLZDH-UHFFFAOYSA-N
XLogP2.60
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 84576958
(2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
CID 119363491
N-[(2R)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 98718599
N-(4-hydroxy-2,2-dimethylpentyl)quinoline-6-carboxamide
CID 111480649
N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119407815
[4-(2-hydroxypropyl)piperazin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56802486
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 3417086
N-[2-(2,3-dichlorophenyl)ethyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55799150
N-(4-hydroxy-2,2-dimethylpentyl)-2,6-dimethylpyridine-3-carboxamide
CID 111480117

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide (CID 111520136) is N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide is CC(O)CC(C)(C)CNC(=O)c1cccnc1N1CCCCC1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is MBKDOVCNGRLZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(22)12-18(2,3)13-20-17(23)15-8-7-9-19-16(15)21-10-5-4-6-11-21/h7-9,14,22H,4-6,10-13H2,1-3H3,(H,20,23).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 111520136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).