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

C18H29N3O2 — CID 111447123

IUPAC6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C18H29N3O2/c1-14(11-15(2)22)12-20-18(23)16-7-8-17(19-13-16)21-9-5-3-4-6-10-21/h7-8,13-15,22H,3-6,9-12H2,1-2H3,(H,20,23)
InChIKeyCXARUORCTBAFFB-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.60
Rot. Bonds6

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

6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide (PubChem CID 111447123) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
PubChem CID111447123
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
SMILESCC(O)CC(C)CNC(=O)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C18H29N3O2/c1-14(11-15(2)22)12-20-18(23)16-7-8-17(19-13-16)21-9-5-3-4-6-10-21/h7-8,13-15,22H,3-6,9-12H2,1-2H3,(H,20,23)
InChIKeyCXARUORCTBAFFB-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-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480160
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
6-piperidin-1-yl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56739026
6-(diethylamino)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447882
N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111485259
6-(azepan-1-yl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyridine-3-carboxamide
CID 26391523

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide (CID 111447123) is 6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide is CC(O)CC(C)CNC(=O)c1ccc(N2CCCCCC2)nc1.
What is the InChIKey of 6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide?
The InChIKey is CXARUORCTBAFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(11-15(2)22)12-20-18(23)16-7-8-17(19-13-16)21-9-5-3-4-6-10-21/h7-8,13-15,22H,3-6,9-12H2,1-2H3,(H,20,23).
What are the key properties of 6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide?
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-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 6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide is sourced from PubChem (CID 111447123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).