N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

C17H19FN2O2 — CID 71845254

IUPACN-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)ccc1C(=O)NCC(C)(C)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O2/c1-11-14(7-8-15(21)20-11)16(22)19-10-17(2,3)12-5-4-6-13(18)9-12/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyVMNMOFKFQURZRM-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.53
Rot. Bonds4

About N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 71845254) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID71845254
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC NameN-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)ccc1C(=O)NCC(C)(C)c1cccc(F)c1
InChIInChI=1S/C17H19FN2O2/c1-11-14(7-8-15(21)20-11)16(22)19-10-17(2,3)12-5-4-6-13(18)9-12/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyVMNMOFKFQURZRM-UHFFFAOYSA-N
XLogP2.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 71845254) is N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)ccc1C(=O)NCC(C)(C)c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is VMNMOFKFQURZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-11-14(7-8-15(21)20-11)16(22)19-10-17(2,3)12-5-4-6-13(18)9-12/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-2-methylpropyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71845254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).