4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile

C19H20N4O2 — CID 133396754

IUPAC4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(Nc2cc(C)nc(C)c2C#N)cc1N1CCCC1=O
InChIInChI=1S/C19H20N4O2/c1-12-9-16(15(11-20)13(2)21-12)22-14-6-7-18(25-3)17(10-14)23-8-4-5-19(23)24/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,22)
InChIKeyBFIGJFPHGYBOAI-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.45
Rot. Bonds4

About 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile

4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 133396754) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile
PubChem CID133396754
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile
SMILESCOc1ccc(Nc2cc(C)nc(C)c2C#N)cc1N1CCCC1=O
InChIInChI=1S/C19H20N4O2/c1-12-9-16(15(11-20)13(2)21-12)22-14-6-7-18(25-3)17(10-14)23-8-4-5-19(23)24/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,22)
InChIKeyBFIGJFPHGYBOAI-UHFFFAOYSA-N
XLogP3.45
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxy-3-methylanilino)-2,6-dimethylpyridine-3-carbonitrile
CID 81060534
6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile
CID 133392008
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]prop-2-yne-1-sulfonamide
CID 7636079
4-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 25380840
N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679617
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
1-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-(4-methoxyphenyl)thiourea
CID 43076215
1-[2-methoxy-5-[(8-nitroisoquinolin-5-yl)amino]phenyl]piperidin-2-one
CID 78899043
2-methoxy-3-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2-methyl-3-oxopropanoic acid
CID 146136090
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 7636383
ethyl 6-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]pyridine-3-carboxylate
CID 51114809

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile (CID 133396754) is 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile is COc1ccc(Nc2cc(C)nc(C)c2C#N)cc1N1CCCC1=O.
What is the InChIKey of 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is BFIGJFPHGYBOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-9-16(15(11-20)13(2)21-12)22-14-6-7-18(25-3)17(10-14)23-8-4-5-19(23)24/h6-7,9-10H,4-5,8H2,1-3H3,(H,21,22).
What are the key properties of 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile?
4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 336.40 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 133396754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).