N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide

C19H26N4O3 — CID 131953991

IUPACN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cnn(CC2CCOCC2)c1C
InChIInChI=1S/C19H26N4O3/c1-12-8-13(2)22-19(25)16(12)9-20-18(24)17-10-21-23(14(17)3)11-15-4-6-26-7-5-15/h8,10,15-16H,4-7,9,11H2,1-3H3,(H,20,24)
InChIKeyXAULAWOLVMBPRL-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.91
Rot. Bonds5

About N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide

N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide (PubChem CID 131953991) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide
PubChem CID131953991
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide
SMILESCC1=CC(C)=NC(=O)C1CNC(=O)c1cnn(CC2CCOCC2)c1C
InChIInChI=1S/C19H26N4O3/c1-12-8-13(2)22-19(25)16(12)9-20-18(24)17-10-21-23(14(17)3)11-15-4-6-26-7-5-15/h8,10,15-16H,4-7,9,11H2,1-3H3,(H,20,24)
InChIKeyXAULAWOLVMBPRL-UHFFFAOYSA-N
XLogP1.91
TPSA85.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 90168465
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-[ethyl(oxan-4-yl)amino]-1,4-dimethylpyrazole-3-carboxamide
CID 131953995
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-2-methyl-1-[(1R)-1-(oxan-4-yl)ethyl]indole-3-carboxamide
CID 122362641
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 77426246
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(hydroxymethyl)indazole-4-carboxamide
CID 77465667
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 73386288
5-methyl-4-nitro-1-(oxan-4-ylmethyl)pyrazole
CID 153281740
6-acetyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465628
6-bromo-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-1-[1-(piperidine-4-carbonyl)piperidin-4-yl]indazole-4-carboxamide
CID 77465849
4-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-N-methyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4,6-dicarboxamide
CID 77464569
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-[1-(2-hydroxyacetyl)piperidin-4-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 77465769
5-[(E)-1-(4-aminocyclohexyl)prop-1-enyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 131954013

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide (CID 131953991) is N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide is CC1=CC(C)=NC(=O)C1CNC(=O)c1cnn(CC2CCOCC2)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is XAULAWOLVMBPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-8-13(2)22-19(25)16(12)9-20-18(24)17-10-21-23(14(17)3)11-15-4-6-26-7-5-15/h8,10,15-16H,4-7,9,11H2,1-3H3,(H,20,24).
What are the key properties of N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-5-methyl-1-(oxan-4-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 131953991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).