N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide

C17H18N2O3 — CID 46460087

IUPACN-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)nc2)c1
InChIInChI=1S/C17H18N2O3/c1-11(2)22-16-8-7-14(10-18-16)17(21)19-15-6-4-5-13(9-15)12(3)20/h4-11H,1-3H3,(H,19,21)
InChIKeyNBLRAJQQBSZAAP-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.32
Rot. Bonds5

About N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide

N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 46460087) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID46460087
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)nc2)c1
InChIInChI=1S/C17H18N2O3/c1-11(2)22-16-8-7-14(10-18-16)17(21)19-15-6-4-5-13(9-15)12(3)20/h4-11H,1-3H3,(H,19,21)
InChIKeyNBLRAJQQBSZAAP-UHFFFAOYSA-N
XLogP3.32
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(phenylcarbamoylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 55688052
6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 51117263
N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86985414
6-propan-2-yloxy-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]pyridine-3-carboxamide
CID 55880611
N-[3-(morpholine-4-carbonyl)phenyl]-6-[(1R)-1-phenylethoxy]pyridine-3-carboxamide
CID 95146314
N-(3-acetylphenyl)-2-(butan-2-ylamino)pyrimidine-5-carboxamide
CID 109249149
3-[4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 119252399
N-(3-acetylphenyl)quinoline-3-carboxamide
CID 110694820
N-[3-(hydroxymethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 60698682
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N-(3-acetylphenyl)-6-(butylamino)pyridine-3-carboxamide
CID 109151637
N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 48524407

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide (CID 46460087) is N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide is CC(=O)c1cccc(NC(=O)c2ccc(OC(C)C)nc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is NBLRAJQQBSZAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-11(2)22-16-8-7-14(10-18-16)17(21)19-15-6-4-5-13(9-15)12(3)20/h4-11H,1-3H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide?
N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 46460087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).