N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

C18H29N3O2 — CID 111485259

IUPACN-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H29N3O2/c1-14(2)8-9-18(3,23)13-20-17(22)15-6-7-16(19-12-15)21-10-4-5-11-21/h6-7,12,14,23H,4-5,8-11,13H2,1-3H3,(H,20,22)
InChIKeyMDIYTHWFWCWAOL-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.60
Rot. Bonds7

About N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 111485259) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID111485259
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(C)CCC(C)(O)CNC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H29N3O2/c1-14(2)8-9-18(3,23)13-20-17(22)15-6-7-16(19-12-15)21-10-4-5-11-21/h6-7,12,14,23H,4-5,8-11,13H2,1-3H3,(H,20,22)
InChIKeyMDIYTHWFWCWAOL-UHFFFAOYSA-N
XLogP2.60
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111444833
6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480160
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
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-(azepan-1-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 111482284
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
N-(2-hydroxy-2,5-dimethylhexyl)-4-(1,2,4-triazol-4-yl)benzamide
CID 111485349
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
4-methyl-4-[(6-pyrrolidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
CID 119357395

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 111485259) is N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is CC(C)CCC(C)(O)CNC(=O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is MDIYTHWFWCWAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-14(2)8-9-18(3,23)13-20-17(22)15-6-7-16(19-12-15)21-10-4-5-11-21/h6-7,12,14,23H,4-5,8-11,13H2,1-3H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 111485259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).