2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide

C23H22N4O4 — CID 55466374

IUPAC2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C23H22N4O4/c1-14-17(15(2)26-23(30)19(14)12-24)9-10-21(28)27-20-8-4-3-7-18(20)22(29)25-13-16-6-5-11-31-16/h3-8,11H,9-10,13H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyDSFKXCUNILBOPS-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.96
Rot. Bonds7

About 2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide

2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 55466374) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide
PubChem CID55466374
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C23H22N4O4/c1-14-17(15(2)26-23(30)19(14)12-24)9-10-21(28)27-20-8-4-3-7-18(20)22(29)25-13-16-6-5-11-31-16/h3-8,11H,9-10,13H2,1-2H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyDSFKXCUNILBOPS-UHFFFAOYSA-N
XLogP2.96
TPSA127.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[4-(furan-2-yl)butan-2-yl]propanamide
CID 18162533
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]propanamide
CID 47829818
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 51188549
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)propanoylamino]benzamide
CID 51283919
N-(furan-2-ylmethyl)-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]benzamide
CID 34653312
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
6-[3-[2-(furan-2-ylmethylcarbamoyl)anilino]-3-oxopropyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55871588
N-(furan-2-ylmethyl)-2-[3-(3,4,5-trimethoxyphenyl)propanoylamino]benzamide
CID 34646854

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide (CID 55466374) is 2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is DSFKXCUNILBOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-14-17(15(2)26-23(30)19(14)12-24)9-10-21(28)27-20-8-4-3-7-18(20)22(29)25-13-16-6-5-11-31-16/h3-8,11H,9-10,13H2,1-2H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of 2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide?
2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 418.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoylamino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 55466374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).