N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide

C22H23N3O3 — CID 71571201

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2ccn(C(C)c3ccccc3)c(=O)c2)c(=O)[nH]1
InChIInChI=1S/C22H23N3O3/c1-14-11-15(2)24-22(28)19(14)13-23-21(27)18-9-10-25(20(26)12-18)16(3)17-7-5-4-6-8-17/h4-12,16H,13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyMRLJERMPALQHNU-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.69
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide (PubChem CID 71571201) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide
PubChem CID71571201
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2ccn(C(C)c3ccccc3)c(=O)c2)c(=O)[nH]1
InChIInChI=1S/C22H23N3O3/c1-14-11-15(2)24-22(28)19(14)13-23-21(27)18-9-10-25(20(26)12-18)16(3)17-7-5-4-6-8-17/h4-12,16H,13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyMRLJERMPALQHNU-UHFFFAOYSA-N
XLogP2.69
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide (CID 71571201) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide is Cc1cc(C)c(CNC(=O)c2ccn(C(C)c3ccccc3)c(=O)c2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide?
The InChIKey is MRLJERMPALQHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-11-15(2)24-22(28)19(14)13-23-21(27)18-9-10-25(20(26)12-18)16(3)17-7-5-4-6-8-17/h4-12,16H,13H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-(1-phenylethyl)pyridine-4-carboxamide is sourced from PubChem (CID 71571201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).