N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

C14H21N3O2 — CID 110886372

IUPACN-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCC(CO)NC(=O)c1cccnc1N1CCCC1
InChIInChI=1S/C14H21N3O2/c1-2-11(10-18)16-14(19)12-6-5-7-15-13(12)17-8-3-4-9-17/h5-7,11,18H,2-4,8-10H2,1H3,(H,16,19)
InChIKeyOMHALVWJHOJVMF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.18
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 110886372) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID110886372
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCC(CO)NC(=O)c1cccnc1N1CCCC1
InChIInChI=1S/C14H21N3O2/c1-2-11(10-18)16-14(19)12-6-5-7-15-13(12)17-8-3-4-9-17/h5-7,11,18H,2-4,8-10H2,1H3,(H,16,19)
InChIKeyOMHALVWJHOJVMF-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

N-ethyl-2-piperidin-1-ylpyridine-3-carboxamide
CID 47231439
(2R)-4-methyl-2-[(2-piperidin-1-ylpyridine-3-carbonyl)amino]pentanoic acid
CID 119363491
3-hydroxy-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 60923596
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219
2-bromo-N-pentan-3-ylpyridine-3-carboxamide
CID 103751829
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
2-(azepan-1-yl)-N,N-diethylpyridine-3-carboxamide
CID 84577154
N-(3-aminopropyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119407815
N-(2-aminoethyl)-2-piperidin-1-ylpyridine-3-carboxamide;dihydrochloride
CID 119383900
[2-oxo-2-(propan-2-ylamino)ethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 35188829
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 110886372) is N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is CCC(CO)NC(=O)c1cccnc1N1CCCC1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is OMHALVWJHOJVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-11(10-18)16-14(19)12-6-5-7-15-13(12)17-8-3-4-9-17/h5-7,11,18H,2-4,8-10H2,1H3,(H,16,19).
What are the key properties of N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(1-hydroxybutan-2-yl)-2-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-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 110886372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).