3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide

C14H18F2N2O2 — CID 91776280

IUPAC3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
SMILESCN(CCCC1CCCO1)C(=O)c1ncc(F)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-18(6-2-4-11-5-3-7-20-11)14(19)13-12(16)8-10(15)9-17-13/h8-9,11H,2-7H2,1H3
InChIKeyWNSVSDPYXRDYIF-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.39
Rot. Bonds5

About 3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide

3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide (PubChem CID 91776280) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
PubChem CID91776280
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide
SMILESCN(CCCC1CCCO1)C(=O)c1ncc(F)cc1F
InChIInChI=1S/C14H18F2N2O2/c1-18(6-2-4-11-5-3-7-20-11)14(19)13-12(16)8-10(15)9-17-13/h8-9,11H,2-7H2,1H3
InChIKeyWNSVSDPYXRDYIF-UHFFFAOYSA-N
XLogP2.39
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-methyl-N-[3-[(2R)-oxolan-2-yl]propyl]pyrimidine-5-carboxamide
CID 126439627
3-(3-fluoro-4-pyridinyl)-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]benzamide
CID 125159693
N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125168534
5-(difluoromethyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]-1H-pyrazole-3-carboxamide
CID 121495548
8-fluoro-N-methyl-N-[3-[(2S)-oxolan-2-yl]propyl]quinoline-2-carboxamide
CID 97128255
4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
CID 135108533
N-methyl-4-(3-methyl-4-pyridinyl)-N-[3-(oxolan-2-yl)propyl]benzamide
CID 119067493
3-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-1-methyl-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126453434
N-cyclohexyl-3,5-difluoro-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 154871027
N-methyl-6-oxo-N-[3-(oxolan-2-yl)propyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 70734672
3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
CID 99972449
2-[3-[methyl-[3-(oxolan-2-yl)propyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 118787231

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide (CID 91776280) is 3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide is CN(CCCC1CCCO1)C(=O)c1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide?
The InChIKey is WNSVSDPYXRDYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-18(6-2-4-11-5-3-7-20-11)14(19)13-12(16)8-10(15)9-17-13/h8-9,11H,2-7H2,1H3.
What are the key properties of 3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide?
3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-methyl-N-[3-(oxolan-2-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 91776280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).