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

C15H20N4O2 — CID 172795901

IUPACN-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCc1cc(CC)c(CNC(=O)c2cn[nH]c2C)c(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-4-10-6-11(5-2)18-15(21)13(10)7-16-14(20)12-8-17-19-9(12)3/h6,8H,4-5,7H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyQEUVQRBATMFDEV-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.46
Rot. Bonds5

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

N-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 172795901) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID172795901
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCc1cc(CC)c(CNC(=O)c2cn[nH]c2C)c(=O)[nH]1
InChIInChI=1S/C15H20N4O2/c1-4-10-6-11(5-2)18-15(21)13(10)7-16-14(20)12-8-17-19-9(12)3/h6,8H,4-5,7H2,1-3H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyQEUVQRBATMFDEV-UHFFFAOYSA-N
XLogP1.46
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 172795901) is N-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is CCc1cc(CC)c(CNC(=O)c2cn[nH]c2C)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is QEUVQRBATMFDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-10-6-11(5-2)18-15(21)13(10)7-16-14(20)12-8-17-19-9(12)3/h6,8H,4-5,7H2,1-3H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of N-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-diethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 172795901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).