N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide

C10H12F2N2O2 — CID 174604341

IUPACN-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide
SMILESCC(C)n1c(C(F)F)ccc(NC=O)c1=O
InChIInChI=1S/C10H12F2N2O2/c1-6(2)14-8(9(11)12)4-3-7(10(14)16)13-5-15/h3-6,9H,1-2H3,(H,13,15)
InChIKeyASESOVRZYKBDBX-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.94
Rot. Bonds4

About N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide

N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide (PubChem CID 174604341) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide
PubChem CID174604341
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC NameN-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide
SMILESCC(C)n1c(C(F)F)ccc(NC=O)c1=O
InChIInChI=1S/C10H12F2N2O2/c1-6(2)14-8(9(11)12)4-3-7(10(14)16)13-5-15/h3-6,9H,1-2H3,(H,13,15)
InChIKeyASESOVRZYKBDBX-UHFFFAOYSA-N
XLogP1.94
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide?
The IUPAC name of N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide (CID 174604341) is N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide.
What is the SMILES notation for N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide?
The canonical SMILES for N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide is CC(C)n1c(C(F)F)ccc(NC=O)c1=O.
What is the InChIKey of N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide?
The InChIKey is ASESOVRZYKBDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-6(2)14-8(9(11)12)4-3-7(10(14)16)13-5-15/h3-6,9H,1-2H3,(H,13,15).
What are the key properties of N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide?
N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide has a molecular weight of 230.21 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-oxo-1-propan-2-yl-3-pyridinyl]formamide is sourced from PubChem (CID 174604341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).