N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

C18H29N3O2 — CID 111444833

IUPACN-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H29N3O2/c1-3-9-18(23,10-4-2)14-20-17(22)15-7-8-16(19-13-15)21-11-5-6-12-21/h7-8,13,23H,3-6,9-12,14H2,1-2H3,(H,20,22)
InChIKeyIKRGVUATPUHPKB-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.74
Rot. Bonds8

About N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 111444833) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID111444833
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC NameN-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCCC(O)(CCC)CNC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C18H29N3O2/c1-3-9-18(23,10-4-2)14-20-17(22)15-7-8-16(19-13-15)21-11-5-6-12-21/h7-8,13,23H,3-6,9-12,14H2,1-2H3,(H,20,22)
InChIKeyIKRGVUATPUHPKB-UHFFFAOYSA-N
XLogP2.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111485259
N-(2-hydroxy-2-propylpentyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 111444790
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
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-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-3-carboxamide
CID 111482284
N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 111485089
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 111444833) is N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is CCCC(O)(CCC)CNC(=O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is IKRGVUATPUHPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-9-18(23,10-4-2)14-20-17(22)15-7-8-16(19-13-15)21-11-5-6-12-21/h7-8,13,23H,3-6,9-12,14H2,1-2H3,(H,20,22).
What are the key properties of N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 319.45 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-propylpentyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 111444833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).