7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide

C23H20F3N3O — CID 160880029

IUPAC7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide
SMILESCC(C)Nc1ccc2c(c1)Cc1c(C(N)=O)cc(-c3cccc(C(F)(F)F)c3)nc1-2
InChIInChI=1S/C23H20F3N3O/c1-12(2)28-16-6-7-17-14(9-16)10-18-19(22(27)30)11-20(29-21(17)18)13-4-3-5-15(8-13)23(24,25)26/h3-9,11-12,28H,10H2,1-2H3,(H2,27,30)
InChIKeySMXHHIPOOWNLDT-UHFFFAOYSA-N
MW411.43 g/mol
LogP5.26
Rot. Bonds4

About 7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide

7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide (PubChem CID 160880029) has the molecular formula C23H20F3N3O and a molecular weight of 411.43 g/mol. Its IUPAC name is 7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide
PubChem CID160880029
Molecular FormulaC23H20F3N3O
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide
SMILESCC(C)Nc1ccc2c(c1)Cc1c(C(N)=O)cc(-c3cccc(C(F)(F)F)c3)nc1-2
InChIInChI=1S/C23H20F3N3O/c1-12(2)28-16-6-7-17-14(9-16)10-18-19(22(27)30)11-20(29-21(17)18)13-4-3-5-15(8-13)23(24,25)26/h3-9,11-12,28H,10H2,1-2H3,(H2,27,30)
InChIKeySMXHHIPOOWNLDT-UHFFFAOYSA-N
XLogP5.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.43
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 4-carbamoyl-2-phenyl-5H-indeno[1,2-b]pyridine-7-carboxylate
CID 147929100
4-(2-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-7-ol
CID 155520372
4-(3-hydroxyphenyl)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridin-8-ol
CID 155517830
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
6-acetamido-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid
CID 18073448
(1R)-1-[3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]ethanamine
CID 94902136
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
N-(2,6-dimethyl-4-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 53233781
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624

Frequently Asked Questions

What is the IUPAC name of 7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide?
The IUPAC name of 7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide (CID 160880029) is 7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide.
What is the SMILES notation for 7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide?
The canonical SMILES for 7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide is CC(C)Nc1ccc2c(c1)Cc1c(C(N)=O)cc(-c3cccc(C(F)(F)F)c3)nc1-2.
What is the InChIKey of 7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide?
The InChIKey is SMXHHIPOOWNLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O/c1-12(2)28-16-6-7-17-14(9-16)10-18-19(22(27)30)11-20(29-21(17)18)13-4-3-5-15(8-13)23(24,25)26/h3-9,11-12,28H,10H2,1-2H3,(H2,27,30).
What are the key properties of 7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide?
7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(propan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]-5H-indeno[1,2-b]pyridine-4-carboxamide is sourced from PubChem (CID 160880029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).