2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide

C23H21N5O3 — CID 46346674

IUPAC2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C(=O)NCc2ccncc2)c(=O)c1C#N
InChIInChI=1S/C23H21N5O3/c1-15-11-16(2)28(23(31)19(15)12-24)14-21(29)27-20-6-4-3-5-18(20)22(30)26-13-17-7-9-25-10-8-17/h3-11H,13-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyIEXJNOWZMUEBDQ-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.30
Rot. Bonds6

About 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide

2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 46346674) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID46346674
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Name2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide
SMILESCc1cc(C)n(CC(=O)Nc2ccccc2C(=O)NCc2ccncc2)c(=O)c1C#N
InChIInChI=1S/C23H21N5O3/c1-15-11-16(2)28(23(31)19(15)12-24)14-21(29)27-20-6-4-3-5-18(20)22(30)26-13-17-7-9-25-10-8-17/h3-11H,13-14H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyIEXJNOWZMUEBDQ-UHFFFAOYSA-N
XLogP2.30
TPSA116.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide (CID 46346674) is 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide is Cc1cc(C)n(CC(=O)Nc2ccccc2C(=O)NCc2ccncc2)c(=O)c1C#N.
What is the InChIKey of 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is IEXJNOWZMUEBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-15-11-16(2)28(23(31)19(15)12-24)14-21(29)27-20-6-4-3-5-18(20)22(30)26-13-17-7-9-25-10-8-17/h3-11H,13-14H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide?
2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 415.45 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 46346674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).