N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

C19H20N4O2 — CID 50959051

IUPACN,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(C)Cc2cn[nH]c2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c1-12-9-13(2)21-18(24)16(12)19(25)23(3)11-15-10-20-22-17(15)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyKGMSLSQMOLXCEY-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.65
Rot. Bonds4

About N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 50959051) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID50959051
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(C)c(C(=O)N(C)Cc2cn[nH]c2-c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C19H20N4O2/c1-12-9-13(2)21-18(24)16(12)19(25)23(3)11-15-10-20-22-17(15)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,20,22)(H,21,24)
InChIKeyKGMSLSQMOLXCEY-UHFFFAOYSA-N
XLogP2.65
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (CID 50959051) is N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is Cc1cc(C)c(C(=O)N(C)Cc2cn[nH]c2-c2ccccc2)c(=O)[nH]1.
What is the InChIKey of N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is KGMSLSQMOLXCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-9-13(2)21-18(24)16(12)19(25)23(3)11-15-10-20-22-17(15)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,20,22)(H,21,24).
What are the key properties of N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,6-trimethyl-2-oxo-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 50959051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).