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

C15H17N3O2 — CID 175909349

IUPACN-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
SMILESCCC(CO)NC(=O)c1ncccc1-c1cccnc1
InChIInChI=1S/C15H17N3O2/c1-2-12(10-19)18-15(20)14-13(6-4-8-17-14)11-5-3-7-16-9-11/h3-9,12,19H,2,10H2,1H3,(H,18,20)
InChIKeyYYYKDUAEUKTDFG-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.64
Rot. Bonds5

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

N-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 175909349) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
PubChem CID175909349
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
SMILESCCC(CO)NC(=O)c1ncccc1-c1cccnc1
InChIInChI=1S/C15H17N3O2/c1-2-12(10-19)18-15(20)14-13(6-4-8-17-14)11-5-3-7-16-9-11/h3-9,12,19H,2,10H2,1H3,(H,18,20)
InChIKeyYYYKDUAEUKTDFG-UHFFFAOYSA-N
XLogP1.64
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 60923596
N-[(2S)-1-hydroxybutan-2-yl]-3-methylpyridine-2-carboxamide
CID 104981219
1-[(2S)-1-hydroxybutan-2-yl]-3-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]urea
CID 97096200
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
(E)-N-[(2R)-1-hydroxybutan-2-yl]-3-pyridin-3-ylprop-2-enamide
CID 103919982
3-[(3-aminopyridine-2-carbonyl)amino]pentanoic acid
CID 104742756
3-bromo-N-hexan-3-ylpyridine-2-carboxamide
CID 107518890
2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]butan-1-ol
CID 69184039
3,4,5-trichloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 93041499
N-(1-hydroxybutan-2-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 110886372
N-(1-hydroxybutan-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 43418024
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide (CID 175909349) is N-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide is CCC(CO)NC(=O)c1ncccc1-c1cccnc1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is YYYKDUAEUKTDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-12(10-19)18-15(20)14-13(6-4-8-17-14)11-5-3-7-16-9-11/h3-9,12,19H,2,10H2,1H3,(H,18,20).
What are the key properties of N-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
N-(1-hydroxybutan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.64, 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)-3-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 175909349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).