N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

C14H21N3O2 — CID 111433799

IUPACN-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(O)CCNC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H21N3O2/c1-11(18)6-7-15-14(19)12-4-5-13(16-10-12)17-8-2-3-9-17/h4-5,10-11,18H,2-3,6-9H2,1H3,(H,15,19)
InChIKeyYZXBDZKZNLKJBO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.18
Rot. Bonds5

About N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 111433799) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID111433799
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCC(O)CCNC(=O)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C14H21N3O2/c1-11(18)6-7-15-14(19)12-4-5-13(16-10-12)17-8-2-3-9-17/h4-5,10-11,18H,2-3,6-9H2,1H3,(H,15,19)
InChIKeyYZXBDZKZNLKJBO-UHFFFAOYSA-N
XLogP1.18
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
6-(azepan-1-yl)-N-(4-hydroxy-2-methylpentyl)pyridine-3-carboxamide
CID 111447123
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
6-(azepan-1-yl)-N-(4-hydroxy-2,2-dimethylpentyl)pyridine-3-carboxamide
CID 111480160
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255
N-[(2R)-2-(ethylamino)propyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 120652401
N-(2-hydroxy-2,5-dimethylhexyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111485259
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
6-piperidin-1-yl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56739026

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 111433799) is N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is CC(O)CCNC(=O)c1ccc(N2CCCC2)nc1.
What is the InChIKey of N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is YZXBDZKZNLKJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(18)6-7-15-14(19)12-4-5-13(16-10-12)17-8-2-3-9-17/h4-5,10-11,18H,2-3,6-9H2,1H3,(H,15,19).
What are the key properties of N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 111433799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).