N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide

C16H15N3O2 — CID 62353143

IUPACN-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C#N)cn2)cc1
InChIInChI=1S/C16H15N3O2/c1-21-14-6-2-12(3-7-14)5-9-16(20)19-15-8-4-13(10-17)11-18-15/h2-4,6-8,11H,5,9H2,1H3,(H,18,19,20)
InChIKeyARGNIZOVFUJKCK-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.53
Rot. Bonds5

About N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide

N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 62353143) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
PubChem CID62353143
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(C#N)cn2)cc1
InChIInChI=1S/C16H15N3O2/c1-21-14-6-2-12(3-7-14)5-9-16(20)19-15-8-4-13(10-17)11-18-15/h2-4,6-8,11H,5,9H2,1H3,(H,18,19,20)
InChIKeyARGNIZOVFUJKCK-UHFFFAOYSA-N
XLogP2.53
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide
CID 90237587
N-[5-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-3-phenylpropanamide
CID 113028481
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
N-[4-(cyanomethoxy)phenyl]-3-(4-methoxyphenyl)propanamide
CID 30873501
methyl 3-[4-[(5-cyano-2-pyridinyl)carbamoyl-(2-hydroxyethyl)amino]phenyl]propanoate
CID 22098848
2-chloro-N-(5-cyano-2-pyridinyl)acetamide
CID 44574293
N-(5-cyano-2-pyridinyl)-2-phenylacetamide
CID 62355347
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 18152521
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
CID 62354736
N-(5-chloro-2-pyridinyl)-2-(4-methoxyphenyl)acetamide
CID 949027
3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
CID 90549032

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide (CID 62353143) is N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)Nc2ccc(C#N)cn2)cc1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is ARGNIZOVFUJKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-21-14-6-2-12(3-7-14)5-9-16(20)19-15-8-4-13(10-17)11-18-15/h2-4,6-8,11H,5,9H2,1H3,(H,18,19,20).
What are the key properties of N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide?
N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 281.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 62353143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).