N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide

C17H17N3O2 — CID 82031950

IUPACN-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1ccn(C(C)(C)C(=O)Nc2cccc(C#N)c2)c(=O)c1
InChIInChI=1S/C17H17N3O2/c1-12-7-8-20(15(21)9-12)17(2,3)16(22)19-14-6-4-5-13(10-14)11-18/h4-10H,1-3H3,(H,19,22)
InChIKeyDPWBVKPEBCUEQP-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.40
Rot. Bonds3

About N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide

N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide (PubChem CID 82031950) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide
PubChem CID82031950
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide
SMILESCc1ccn(C(C)(C)C(=O)Nc2cccc(C#N)c2)c(=O)c1
InChIInChI=1S/C17H17N3O2/c1-12-7-8-20(15(21)9-12)17(2,3)16(22)19-14-6-4-5-13(10-14)11-18/h4-10H,1-3H3,(H,19,22)
InChIKeyDPWBVKPEBCUEQP-UHFFFAOYSA-N
XLogP2.40
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
3-(3-cyanoanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 82820785
N-(3-cyanophenyl)-2,2-dimethyl-3-(3-methyl-2-oxo-1-pyridinyl)propanamide
CID 92941979
2-amino-N-(3-cyanophenyl)-2-methylbutanamide
CID 79796861
N-(3-cyanophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965790
N-(3-cyanophenyl)-N'-(3-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969395
N-butan-2-yl-N'-(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108958336
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309828
N-(3-cyanophenyl)-N'-(2,6-diethylphenyl)-2,2-dimethylpropanediamide
CID 108968587
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide (CID 82031950) is N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide is Cc1ccn(C(C)(C)C(=O)Nc2cccc(C#N)c2)c(=O)c1.
What is the InChIKey of N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide?
The InChIKey is DPWBVKPEBCUEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-7-8-20(15(21)9-12)17(2,3)16(22)19-14-6-4-5-13(10-14)11-18/h4-10H,1-3H3,(H,19,22).
What are the key properties of N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide?
N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide has a molecular weight of 295.34 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-methyl-2-(4-methyl-2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 82031950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).