4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

C23H21F4N3O4 — CID 155588658

IUPAC4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
SMILESCC1(C)CC(=O)Oc2cc(CC(=O)Nc3ccnc(C(=O)NC4(C(F)(F)F)CC4)c3)c(F)cc21
InChIInChI=1S/C23H21F4N3O4/c1-21(2)11-19(32)34-17-7-12(15(24)10-14(17)21)8-18(31)29-13-3-6-28-16(9-13)20(33)30-22(4-5-22)23(25,26)27/h3,6-7,9-10H,4-5,8,11H2,1-2H3,(H,30,33)(H,28,29,31)
InChIKeyWSCBCNKSAHGRLG-UHFFFAOYSA-N
MW479.43 g/mol
LogP3.81
Rot. Bonds5

About 4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide

4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide (PubChem CID 155588658) has the molecular formula C23H21F4N3O4 and a molecular weight of 479.43 g/mol. Its IUPAC name is 4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
PubChem CID155588658
Molecular FormulaC23H21F4N3O4
Molecular Weight479.43 g/mol
Exact Mass479.15
IUPAC Name4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
SMILESCC1(C)CC(=O)Oc2cc(CC(=O)Nc3ccnc(C(=O)NC4(C(F)(F)F)CC4)c3)c(F)cc21
InChIInChI=1S/C23H21F4N3O4/c1-21(2)11-19(32)34-17-7-12(15(24)10-14(17)21)8-18(31)29-13-3-6-28-16(9-13)20(33)30-22(4-5-22)23(25,26)27/h3,6-7,9-10H,4-5,8,11H2,1-2H3,(H,30,33)(H,28,29,31)
InChIKeyWSCBCNKSAHGRLG-UHFFFAOYSA-N
XLogP3.81
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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-(5-chloro-3,3-dimethyl-2-oxo-1-benzofuran-6-yl)-2-oxopropyl]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
CID 167681379
4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 139347861
N-(4-cyanooxan-4-yl)-4-[[2-[2-fluoro-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]acetyl]amino]pyridine-2-carboxamide
CID 155588575
N-(4-cyanooxan-4-yl)-4-[[2-(5-fluoro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139366506
4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]pyridine-2-carboxylic acid
CID 155588632
N-tert-butyl-4-[[2-(4-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 139348454
4-[[2-(2-chlorophenyl)acetyl]amino]-N-(1-ethylcyclopropyl)pyridine-2-carboxamide
CID 170050610
N-(1-bicyclo[3.2.1]oct-5-enyl)-4-[[2-(5-chloro-2-hydroxyphenyl)acetyl]amino]pyridine-2-carboxamide
CID 167213391
methyl 4-[[2-(2,5-difluorophenyl)acetyl]amino]pyridine-2-carboxylate
CID 139348053
N-tert-butyl-4-[[2-[4-(2-cyanopropan-2-yl)-2-fluoro-5-hydroxyphenyl]acetyl]amino]pyridine-2-carboxamide
CID 155588543
4-[[2-(4-tert-butyl-2-fluoro-5-hydroxyphenyl)acetyl]amino]-N-[(1R)-1-cyanoethyl]pyridine-2-carboxamide
CID 155588668

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide (CID 155588658) is 4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide is CC1(C)CC(=O)Oc2cc(CC(=O)Nc3ccnc(C(=O)NC4(C(F)(F)F)CC4)c3)c(F)cc21.
What is the InChIKey of 4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
The InChIKey is WSCBCNKSAHGRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N3O4/c1-21(2)11-19(32)34-17-7-12(15(24)10-14(17)21)8-18(31)29-13-3-6-28-16(9-13)20(33)30-22(4-5-22)23(25,26)27/h3,6-7,9-10H,4-5,8,11H2,1-2H3,(H,30,33)(H,28,29,31).
What are the key properties of 4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide?
4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide has a molecular weight of 479.43 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6-fluoro-4,4-dimethyl-2-oxo-3H-chromen-7-yl)acetyl]amino]-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide is sourced from PubChem (CID 155588658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).