N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide

C15H16N2O2 — CID 47311353

IUPACN-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
SMILESCC(COc1ccccc1)NC(=O)c1cccnc1
InChIInChI=1S/C15H16N2O2/c1-12(11-19-14-7-3-2-4-8-14)17-15(18)13-6-5-9-16-10-13/h2-10,12H,11H2,1H3,(H,17,18)
InChIKeyQDLYYTMWDZPLDI-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.28
Rot. Bonds5

About N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide

N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide (PubChem CID 47311353) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
PubChem CID47311353
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-(1-phenoxypropan-2-yl)pyridine-3-carboxamide
SMILESCC(COc1ccccc1)NC(=O)c1cccnc1
InChIInChI=1S/C15H16N2O2/c1-12(11-19-14-7-3-2-4-8-14)17-15(18)13-6-5-9-16-10-13/h2-10,12H,11H2,1H3,(H,17,18)
InChIKeyQDLYYTMWDZPLDI-UHFFFAOYSA-N
XLogP2.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]propanamide
CID 94625062
1-[(2S)-1-phenoxypropan-2-yl]-3-pyridin-3-ylthiourea
CID 99866154
N-(1-hydroxy-4-methylpentan-3-yl)pyridine-3-carboxamide
CID 103751046
2-fluoro-N-(1-phenoxypropan-2-yl)benzamide
CID 117061953
N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
4-[(2-methylimidazol-1-yl)methyl]-N-(1-phenoxypropan-2-yl)benzamide
CID 133220620
3-(dimethylsulfamoyl)-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625046
3-methyl-2-(pyridine-3-carbonylamino)butanoic acid;hydrochloride
CID 52993255
(2R,3S)-3-hydroxy-2-(pyridine-3-carbonylamino)butanoic acid
CID 843815
(2-hydroxy-3-phenoxypropyl) pyridine-3-carboxylate
CID 11414636
N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963792
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]-3-phenylmethoxybenzamide
CID 97498534

Frequently Asked Questions

What is the IUPAC name of N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide (CID 47311353) is N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide is CC(COc1ccccc1)NC(=O)c1cccnc1.
What is the InChIKey of N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide?
The InChIKey is QDLYYTMWDZPLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-12(11-19-14-7-3-2-4-8-14)17-15(18)13-6-5-9-16-10-13/h2-10,12H,11H2,1H3,(H,17,18).
What are the key properties of N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide?
N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenoxypropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 47311353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).