2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide

C18H18F2N2O2 — CID 156623675

IUPAC2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESC[C@H](c1ncc(-c2cccc(OC(F)F)c2)cc1C(N)=O)C1CC1
InChIInChI=1S/C18H18F2N2O2/c1-10(11-5-6-11)16-15(17(21)23)8-13(9-22-16)12-3-2-4-14(7-12)24-18(19)20/h2-4,7-11,18H,5-6H2,1H3,(H2,21,23)/t10-/m0/s1
InChIKeyBNACDXNPAJLTHX-JTQLQIEISA-N
MW332.35 g/mol
LogP3.96
Rot. Bonds6

About 2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide

2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 156623675) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID156623675
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESC[C@H](c1ncc(-c2cccc(OC(F)F)c2)cc1C(N)=O)C1CC1
InChIInChI=1S/C18H18F2N2O2/c1-10(11-5-6-11)16-15(17(21)23)8-13(9-22-16)12-3-2-4-14(7-12)24-18(19)20/h2-4,7-11,18H,5-6H2,1H3,(H2,21,23)/t10-/m0/s1
InChIKeyBNACDXNPAJLTHX-JTQLQIEISA-N
XLogP3.96
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(azepan-1-yl)-3-pyridinyl]-4-methyl-3-(3-propan-2-yloxyphenyl)benzamide
CID 158166381
5-[[6-[3-(difluoromethoxy)phenyl]-5-methoxypyrazin-2-yl]methyl]pyrimidine-2-carboxamide
CID 90415667
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
2-N-cyclopropyl-4-N-[5-[3-(difluoromethoxy)phenyl]-3-pyridinyl]pyridine-2,4-dicarboxamide
CID 141452929
N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 67451522
[(3S)-1-[2-cyano-5-[[(1S)-1-cyclopropylethyl]carbamoyl]-3-[3-(difluoromethoxy)phenyl]-4-pyridinyl]-3-methylpyrrolidin-3-yl] carbamate
CID 175260132
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxy-2-pyridinyl]methyl]pyrimidine-2-carboxamide
CID 150776711
2-[3-(3-fluorophenyl)phenoxy]propanoic acid
CID 82044897
(R)-cyclopropyl-[3-(difluoromethoxy)phenyl]methanamine;hydrochloride
CID 171206136
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyridin-1-ium-2-yl]methyl]pyrimidine-2-carboxamide
CID 150776710
5-[[6-[3-(difluoromethoxy)phenyl]-5-ethoxypyrazin-2-yl]methyl]pyridine-2-carboxamide
CID 90415233
3-amino-2-[3-(difluoromethoxy)phenyl]-5-methylcyclopent-2-en-1-one
CID 22153100

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide (CID 156623675) is 2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide is C[C@H](c1ncc(-c2cccc(OC(F)F)c2)cc1C(N)=O)C1CC1.
What is the InChIKey of 2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is BNACDXNPAJLTHX-JTQLQIEISA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-10(11-5-6-11)16-15(17(21)23)8-13(9-22-16)12-3-2-4-14(7-12)24-18(19)20/h2-4,7-11,18H,5-6H2,1H3,(H2,21,23)/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide?
2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-cyclopropylethyl]-5-[3-(difluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 156623675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).