4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide

C19H24N2O2 — CID 10591223

IUPAC4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(-c2cccn(C)c2=O)cc1)C(C)C
InChIInChI=1S/C19H24N2O2/c1-13(2)21(14(3)4)18(22)16-10-8-15(9-11-16)17-7-6-12-20(5)19(17)23/h6-14H,1-5H3
InChIKeyXCDLUPHILRBGNB-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.31
Rot. Bonds4

About 4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide

4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide (PubChem CID 10591223) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide
PubChem CID10591223
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide
SMILESCC(C)N(C(=O)c1ccc(-c2cccn(C)c2=O)cc1)C(C)C
InChIInChI=1S/C19H24N2O2/c1-13(2)21(14(3)4)18(22)16-10-8-15(9-11-16)17-7-6-12-20(5)19(17)23/h6-14H,1-5H3
InChIKeyXCDLUPHILRBGNB-UHFFFAOYSA-N
XLogP3.31
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide (CID 10591223) is 4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide is CC(C)N(C(=O)c1ccc(-c2cccn(C)c2=O)cc1)C(C)C.
What is the InChIKey of 4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide?
The InChIKey is XCDLUPHILRBGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13(2)21(14(3)4)18(22)16-10-8-15(9-11-16)17-7-6-12-20(5)19(17)23/h6-14H,1-5H3.
What are the key properties of 4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide?
4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide has a molecular weight of 312.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxo-3-pyridinyl)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 10591223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).