N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide

C18H19N3O2 — CID 92941979

IUPACN-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1cccn(CC(C)(C)C(=O)Nc2cccc(C#N)c2)c1=O
InChIInChI=1S/C18H19N3O2/c1-13-6-5-9-21(16(13)22)12-18(2,3)17(23)20-15-8-4-7-14(10-15)11-19/h4-10H,12H2,1-3H3,(H,20,23)
InChIKeyHCNXNBYMGZVTDO-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.69
Rot. Bonds4

About N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide

N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide (PubChem CID 92941979) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
PubChem CID92941979
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1cccn(CC(C)(C)C(=O)Nc2cccc(C#N)c2)c1=O
InChIInChI=1S/C18H19N3O2/c1-13-6-5-9-21(16(13)22)12-18(2,3)17(23)20-15-8-4-7-14(10-15)11-19/h4-10H,12H2,1-3H3,(H,20,23)
InChIKeyHCNXNBYMGZVTDO-UHFFFAOYSA-N
XLogP2.69
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 82031950
1-(3-cyanophenyl)-3-[1-[(4-methylphenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 1450101
3-(3-cyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82820785
2-amino-N-(3-cyanophenyl)-2-methylbutanamide
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N-(3-cyanophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965790
N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969395
N-(3-cyanophenyl)-2-(2-cyanopyrrol-1-yl)acetamide
CID 114650857
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide
CID 108968587
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 79126956
2-(4-chlorophenyl)sulfanyl-N-(3-cyanophenyl)acetamide
CID 734703

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide (CID 92941979) is N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide is Cc1cccn(CC(C)(C)C(=O)Nc2cccc(C#N)c2)c1=O.
What is the InChIKey of N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide?
The InChIKey is HCNXNBYMGZVTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-13-6-5-9-21(16(13)22)12-18(2,3)17(23)20-15-8-4-7-14(10-15)11-19/h4-10H,12H2,1-3H3,(H,20,23).
What are the key properties of N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide?
N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide has a molecular weight of 309.37 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 92941979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).