6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide

C19H31N3O2 — CID 111480160

IUPAC6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C19H31N3O2/c1-15(23)12-19(2,3)14-21-18(24)16-8-9-17(20-13-16)22-10-6-4-5-7-11-22/h8-9,13,15,23H,4-7,10-12,14H2,1-3H3,(H,21,24)
InChIKeyORYXTVDUHNOEGE-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.99
Rot. Bonds6

About 6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide

6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide (PubChem CID 111480160) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
PubChem CID111480160
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C19H31N3O2/c1-15(23)12-19(2,3)14-21-18(24)16-8-9-17(20-13-16)22-10-6-4-5-7-11-22/h8-9,13,15,23H,4-7,10-12,14H2,1-3H3,(H,21,24)
InChIKeyORYXTVDUHNOEGE-UHFFFAOYSA-N
XLogP2.99
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111485259
N-(4-hydroxy-2,2-dimethylpentyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 111520136
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111444833
6-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 111482284
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
6-ethylsulfanyl-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480193
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide (CID 111480160) is 6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide is CC(O)CC(C)(C)CNC(=O)c1ccc(N2CCCCCC2)nc1.
What is the InChIKey of 6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide?
The InChIKey is ORYXTVDUHNOEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-15(23)12-19(2,3)14-21-18(24)16-8-9-17(20-13-16)22-10-6-4-5-7-11-22/h8-9,13,15,23H,4-7,10-12,14H2,1-3H3,(H,21,24).
What are the key properties of 6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide?
6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide is sourced from PubChem (CID 111480160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).