2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide

C22H23N3O2 — CID 23037873

IUPAC2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCCc1cc(=O)c(C(=O)Nc2ccccc2)c(CC)n1Cc1ccncc1
InChIInChI=1S/C22H23N3O2/c1-3-18-14-20(26)21(22(27)24-17-8-6-5-7-9-17)19(4-2)25(18)15-16-10-12-23-13-11-16/h5-14H,3-4,15H2,1-2H3,(H,24,27)
InChIKeyDHQHTCBMNIFLHB-UHFFFAOYSA-N
MW361.44 g/mol
LogP3.67
Rot. Bonds6

About 2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide

2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 23037873) has the molecular formula C22H23N3O2 and a molecular weight of 361.44 g/mol. Its IUPAC name is 2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID23037873
Molecular FormulaC22H23N3O2
Molecular Weight361.44 g/mol
Exact Mass361.18
IUPAC Name2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
SMILESCCc1cc(=O)c(C(=O)Nc2ccccc2)c(CC)n1Cc1ccncc1
InChIInChI=1S/C22H23N3O2/c1-3-18-14-20(26)21(22(27)24-17-8-6-5-7-9-17)19(4-2)25(18)15-16-10-12-23-13-11-16/h5-14H,3-4,15H2,1-2H3,(H,24,27)
InChIKeyDHQHTCBMNIFLHB-UHFFFAOYSA-N
XLogP3.67
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide (CID 23037873) is 2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide is CCc1cc(=O)c(C(=O)Nc2ccccc2)c(CC)n1Cc1ccncc1.
What is the InChIKey of 2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is DHQHTCBMNIFLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-18-14-20(26)21(22(27)24-17-8-6-5-7-9-17)19(4-2)25(18)15-16-10-12-23-13-11-16/h5-14H,3-4,15H2,1-2H3,(H,24,27).
What are the key properties of 2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide?
2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-4-oxo-N-phenyl-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 23037873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).