4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

C31H28F4N2O4 — CID 167580197

IUPAC4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
SMILESO=C(Cc1ccnc(C(=O)NC2(C(F)(F)F)CC2)c1)Cc1cc(OCc2ccccc2)c(C2=CCOCC2)cc1F
InChIInChI=1S/C31H28F4N2O4/c32-26-18-25(22-7-12-40-13-8-22)28(41-19-20-4-2-1-3-5-20)17-23(26)16-24(38)14-21-6-11-36-27(15-21)29(39)37-30(9-10-30)31(33,34)35/h1-7,11,15,17-18H,8-10,12-14,16,19H2,(H,37,39)
InChIKeyHBTHVHPEQVFUOY-UHFFFAOYSA-N
MW568.57 g/mol
LogP5.78
Rot. Bonds10

About 4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide (PubChem CID 167580197) has the molecular formula C31H28F4N2O4 and a molecular weight of 568.57 g/mol. Its IUPAC name is 4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
PubChem CID167580197
Molecular FormulaC31H28F4N2O4
Molecular Weight568.57 g/mol
Exact Mass568.20
IUPAC Name4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
SMILESO=C(Cc1ccnc(C(=O)NC2(C(F)(F)F)CC2)c1)Cc1cc(OCc2ccccc2)c(C2=CCOCC2)cc1F
InChIInChI=1S/C31H28F4N2O4/c32-26-18-25(22-7-12-40-13-8-22)28(41-19-20-4-2-1-3-5-20)17-23(26)16-24(38)14-21-6-11-36-27(15-21)29(39)37-30(9-10-30)31(33,34)35/h1-7,11,15,17-18H,8-10,12-14,16,19H2,(H,37,39)
InChIKeyHBTHVHPEQVFUOY-UHFFFAOYSA-N
XLogP5.78
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.57
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[1-[5-fluoro-4-[2-oxo-2-[[2-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]-4-pyridinyl]amino]ethyl]-2-phenylmethoxyphenyl]cyclobutyl]acetate
CID 164521178
4-[3-(4-chloro-1H-indazol-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
CID 165059212
2-[2-fluoro-5-phenylmethoxy-4-[2-(trifluoromethyl)oxetan-2-yl]phenyl]acetic acid
CID 155588671
4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 158711552
4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
CID 155588658
methyl 4-[[4-[3-(5-chloro-2-hydroxyphenyl)-2-oxopropyl]pyridine-2-carbonyl]amino]oxane-4-carboxylate
CID 158244982
N-(1H-pyrazol-4-yl)-4-[[2-(trifluoromethyl)phenoxy]methyl]pyridine-2-carboxamide;dihydrochloride
CID 69076254
N-tert-butyl-4-[3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxopropyl]pyridine-2-carboxamide
CID 157372721
4-[3-(5-tert-butyl-2-hydroxyphenyl)-2-oxopropyl]-N-(1-methylcyclobutyl)pyridine-2-carboxamide
CID 161153250
N-(1-benzylcyclopropyl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 99831743
N-[4-(hydroxymethyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 104630714
N-(2-methylbut-3-yn-2-yl)-4-[2-oxo-3-[3-(trifluoromethyl)phenyl]propyl]pyridine-2-carboxamide
CID 162222844

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide (CID 167580197) is 4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide is O=C(Cc1ccnc(C(=O)NC2(C(F)(F)F)CC2)c1)Cc1cc(OCc2ccccc2)c(C2=CCOCC2)cc1F.
What is the InChIKey of 4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The InChIKey is HBTHVHPEQVFUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F4N2O4/c32-26-18-25(22-7-12-40-13-8-22)28(41-19-20-4-2-1-3-5-20)17-23(26)16-24(38)14-21-6-11-36-27(15-21)29(39)37-30(9-10-30)31(33,34)35/h1-7,11,15,17-18H,8-10,12-14,16,19H2,(H,37,39).
What are the key properties of 4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide has a molecular weight of 568.57 g/mol, XLogP of 5.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3,6-dihydro-2H-pyran-4-yl)-2-fluoro-5-phenylmethoxyphenyl]-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 167580197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).