N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide

C18H19N3O3 — CID 86834751

IUPACN-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCC(C)Oc1ccc(C#N)cc1NC(=O)CCn1ccccc1=O
InChIInChI=1S/C18H19N3O3/c1-13(2)24-16-7-6-14(12-19)11-15(16)20-17(22)8-10-21-9-4-3-5-18(21)23/h3-7,9,11,13H,8,10H2,1-2H3,(H,20,22)
InChIKeyOTJBXSYEFONBFQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.54
Rot. Bonds6

About N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide

N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 86834751) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID86834751
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide
SMILESCC(C)Oc1ccc(C#N)cc1NC(=O)CCn1ccccc1=O
InChIInChI=1S/C18H19N3O3/c1-13(2)24-16-7-6-14(12-19)11-15(16)20-17(22)8-10-21-9-4-3-5-18(21)23/h3-7,9,11,13H,8,10H2,1-2H3,(H,20,22)
InChIKeyOTJBXSYEFONBFQ-UHFFFAOYSA-N
XLogP2.54
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-cyano-2-propan-2-yloxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 47704156
N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955872
N-[(4-cyanophenyl)methyl]-3-(2-oxo-1-pyridinyl)-N-propan-2-ylpropanamide
CID 86979650
N-(5-fluoro-2-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979424
N-(4-acetamidophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979387
N-[2-(ethoxymethyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86821879
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(pyridin-2-ylamino)urea
CID 75398088
1-(5-cyano-2-propan-2-yloxyphenyl)-3-(thiophen-2-ylmethyl)urea
CID 60569804
methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate
CID 87006402
3-amino-4-[2-(2-oxo-1-pyridinyl)ethoxy]benzonitrile
CID 82896590
N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16788694
N-(2-amino-5-chlorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16786560

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide (CID 86834751) is N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide is CC(C)Oc1ccc(C#N)cc1NC(=O)CCn1ccccc1=O.
What is the InChIKey of N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is OTJBXSYEFONBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(2)24-16-7-6-14(12-19)11-15(16)20-17(22)8-10-21-9-4-3-5-18(21)23/h3-7,9,11,13H,8,10H2,1-2H3,(H,20,22).
What are the key properties of N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide?
N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 325.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-propan-2-yloxyphenyl)-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 86834751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).