N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide

C19H17N5O4 — CID 38980480

IUPACN-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(N(CCC#N)C(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)cc1C
InChIInChI=1S/C19H17N5O4/c1-13-4-5-16(8-14(13)2)23(7-3-6-20)18(25)12-22-11-17(24(27)28)9-15(10-21)19(22)26/h4-5,8-9,11H,3,7,12H2,1-2H3
InChIKeyWFBSGWWMPNFNIN-UHFFFAOYSA-N
MW379.38 g/mol
LogP2.19
Rot. Bonds6

About N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide

N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 38980480) has the molecular formula C19H17N5O4 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide
PubChem CID38980480
Molecular FormulaC19H17N5O4
Molecular Weight379.38 g/mol
Exact Mass379.13
IUPAC NameN-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(N(CCC#N)C(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)cc1C
InChIInChI=1S/C19H17N5O4/c1-13-4-5-16(8-14(13)2)23(7-3-6-20)18(25)12-22-11-17(24(27)28)9-15(10-21)19(22)26/h4-5,8-9,11H,3,7,12H2,1-2H3
InChIKeyWFBSGWWMPNFNIN-UHFFFAOYSA-N
XLogP2.19
TPSA133.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 38846497
2-(2-chloro-4-nitrophenoxy)-N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)acetamide
CID 24569443
N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide
CID 8632262
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 8632328
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 8632494
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 8632561
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)acetamide
CID 43058219
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 8632425
N-(4-chloro-3-methylphenyl)-N-(2-cyanoethyl)-2-(4-nitroimidazol-1-yl)acetamide
CID 39030818
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 78833376
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8632294
N-(2-cyanoethyl)-2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 46583164

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide (CID 38980480) is N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(N(CCC#N)C(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)cc1C.
What is the InChIKey of N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is WFBSGWWMPNFNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O4/c1-13-4-5-16(8-14(13)2)23(7-3-6-20)18(25)12-22-11-17(24(27)28)9-15(10-21)19(22)26/h4-5,8-9,11H,3,7,12H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide?
N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 379.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 38980480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).