N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

C19H26N4O2 — CID 70768065

IUPACN-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cnn(C)c2)C2CCCCC2)c(=O)[nH]c1C
InChIInChI=1S/C19H26N4O2/c1-13-9-17(18(24)21-14(13)2)19(25)23(16-7-5-4-6-8-16)12-15-10-20-22(3)11-15/h9-11,16H,4-8,12H2,1-3H3,(H,21,24)
InChIKeyQGADLMMLJHXKPR-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.70
Rot. Bonds4

About N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide

N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 70768065) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID70768065
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2cnn(C)c2)C2CCCCC2)c(=O)[nH]c1C
InChIInChI=1S/C19H26N4O2/c1-13-9-17(18(24)21-14(13)2)19(25)23(16-7-5-4-6-8-16)12-15-10-20-22(3)11-15/h9-11,16H,4-8,12H2,1-3H3,(H,21,24)
InChIKeyQGADLMMLJHXKPR-UHFFFAOYSA-N
XLogP2.70
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 70768065) is N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is Cc1cc(C(=O)N(Cc2cnn(C)c2)C2CCCCC2)c(=O)[nH]c1C.
What is the InChIKey of N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is QGADLMMLJHXKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-9-17(18(24)21-14(13)2)19(25)23(16-7-5-4-6-8-16)12-15-10-20-22(3)11-15/h9-11,16H,4-8,12H2,1-3H3,(H,21,24).
What are the key properties of N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 70768065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).