N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide

C26H31F3N4O3 — CID 42606995

IUPACN-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)N(C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncc(C(F)(F)F)c3)CC2)cc1)C(C)C
InChIInChI=1S/C26H31F3N4O3/c1-15(2)33(16(3)4)23(35)19-8-6-18(7-9-19)17(5)31-24(36)25(10-11-25)32-22(34)20-12-21(14-30-13-20)26(27,28)29/h6-9,12-17H,10-11H2,1-5H3,(H,31,36)(H,32,34)/t17-/m1/s1
InChIKeyZUJACNFITVXVIA-QGZVFWFLSA-N
MW504.55 g/mol
LogP4.50
Rot. Bonds8

About N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide

N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 42606995) has the molecular formula C26H31F3N4O3 and a molecular weight of 504.55 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID42606995
Molecular FormulaC26H31F3N4O3
Molecular Weight504.55 g/mol
Exact Mass504.23
IUPAC NameN-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)N(C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncc(C(F)(F)F)c3)CC2)cc1)C(C)C
InChIInChI=1S/C26H31F3N4O3/c1-15(2)33(16(3)4)23(35)19-8-6-18(7-9-19)17(5)31-24(36)25(10-11-25)32-22(34)20-12-21(14-30-13-20)26(27,28)29/h6-9,12-17H,10-11H2,1-5H3,(H,31,36)(H,32,34)/t17-/m1/s1
InChIKeyZUJACNFITVXVIA-QGZVFWFLSA-N
XLogP4.50
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 46229895
5-bromo-N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 42606411
N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 42606882
N-[1-[[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2-fluorophenyl]methylcarbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 68729215
methyl 3-chloro-4-[1-[[1-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]cyclopropanecarbonyl]amino]ethyl]benzoate
CID 68727718
1-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119280379
N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2,3-difluorophenyl]ethyl]carbamoyl]cyclopropyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 42605950
N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
CID 37354931
1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide
CID 95231374
N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 70854518
5-amino-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 70854611
5-chloro-N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 70854608

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 42606995) is N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide is CC(C)N(C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncc(C(F)(F)F)c3)CC2)cc1)C(C)C.
What is the InChIKey of N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZUJACNFITVXVIA-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H31F3N4O3/c1-15(2)33(16(3)4)23(35)19-8-6-18(7-9-19)17(5)31-24(36)25(10-11-25)32-22(34)20-12-21(14-30-13-20)26(27,28)29/h6-9,12-17H,10-11H2,1-5H3,(H,31,36)(H,32,34)/t17-/m1/s1.
What are the key properties of N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 504.55 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 42606995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).