N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide

C28H26F3N3O — CID 89463476

IUPACN-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide
SMILESC/C(=C1/CCC(NC(=O)c2cccnc2)C1)c1cccc(C2(c3ccc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C28H26F3N3O/c1-18(20-7-9-24(15-20)34-26(35)21-5-3-13-32-16-21)19-4-2-6-22(14-19)27(11-12-27)25-10-8-23(17-33-25)28(29,30)31/h2-6,8,10,13-14,16-17,24H,7,9,11-12,15H2,1H3,(H,34,35)/b20-18+
InChIKeyMGQOLQCJINAESV-CZIZESTLSA-N
MW477.53 g/mol
LogP6.33
Rot. Bonds5

About N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide

N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide (PubChem CID 89463476) has the molecular formula C28H26F3N3O and a molecular weight of 477.53 g/mol. Its IUPAC name is N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide
PubChem CID89463476
Molecular FormulaC28H26F3N3O
Molecular Weight477.53 g/mol
Exact Mass477.20
IUPAC NameN-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide
SMILESC/C(=C1/CCC(NC(=O)c2cccnc2)C1)c1cccc(C2(c3ccc(C(F)(F)F)cn3)CC2)c1
InChIInChI=1S/C28H26F3N3O/c1-18(20-7-9-24(15-20)34-26(35)21-5-3-13-32-16-21)19-4-2-6-22(14-19)27(11-12-27)25-10-8-23(17-33-25)28(29,30)31/h2-6,8,10,13-14,16-17,24H,7,9,11-12,15H2,1H3,(H,34,35)/b20-18+
InChIKeyMGQOLQCJINAESV-CZIZESTLSA-N
XLogP6.33
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.53
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(3E)-3-[2-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide
CID 89463218
N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 71544526
N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide
CID 89462995
N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide
CID 89463338
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-[(4S)-2-oxoazepan-4-yl]pyridine-3-carboxamide
CID 18648131
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide
CID 175651784
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-4-carboxamide
CID 71543956
N-[5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]pyridine-3-carboxamide
CID 123146301
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
CID 18648125

Frequently Asked Questions

What is the IUPAC name of N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide (CID 89463476) is N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide is C/C(=C1/CCC(NC(=O)c2cccnc2)C1)c1cccc(C2(c3ccc(C(F)(F)F)cn3)CC2)c1.
What is the InChIKey of N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide?
The InChIKey is MGQOLQCJINAESV-CZIZESTLSA-N. The full InChI is InChI=1S/C28H26F3N3O/c1-18(20-7-9-24(15-20)34-26(35)21-5-3-13-32-16-21)19-4-2-6-22(14-19)27(11-12-27)25-10-8-23(17-33-25)28(29,30)31/h2-6,8,10,13-14,16-17,24H,7,9,11-12,15H2,1H3,(H,34,35)/b20-18+.
What are the key properties of N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide?
N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide has a molecular weight of 477.53 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 89463476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).