4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide

C29H32F3N5O2 — CID 175717348

IUPAC4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
SMILESCNC(=O)C1CCC(C(=O)N(C)[C@H](c2ccc(Nc3cnc4cccnc4c3C3CC3)cc2)C(F)(F)F)CC1
InChIInChI=1S/C29H32F3N5O2/c1-33-27(38)19-7-9-20(10-8-19)28(39)37(2)26(29(30,31)32)18-11-13-21(14-12-18)36-23-16-35-22-4-3-15-34-25(22)24(23)17-5-6-17/h3-4,11-17,19-20,26,36H,5-10H2,1-2H3,(H,33,38)/t19?,20?,26-/m1/s1
InChIKeyNNFQKLTYZFWGOO-XYVRPBRGSA-N
MW539.60 g/mol
LogP5.86
Rot. Bonds7

About 4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide

4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide (PubChem CID 175717348) has the molecular formula C29H32F3N5O2 and a molecular weight of 539.60 g/mol. Its IUPAC name is 4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
PubChem CID175717348
Molecular FormulaC29H32F3N5O2
Molecular Weight539.60 g/mol
Exact Mass539.25
IUPAC Name4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
SMILESCNC(=O)C1CCC(C(=O)N(C)[C@H](c2ccc(Nc3cnc4cccnc4c3C3CC3)cc2)C(F)(F)F)CC1
InChIInChI=1S/C29H32F3N5O2/c1-33-27(38)19-7-9-20(10-8-19)28(39)37(2)26(29(30,31)32)18-11-13-21(14-12-18)36-23-16-35-22-4-3-15-34-25(22)24(23)17-5-6-17/h3-4,11-17,19-20,26,36H,5-10H2,1-2H3,(H,33,38)/t19?,20?,26-/m1/s1
InChIKeyNNFQKLTYZFWGOO-XYVRPBRGSA-N
XLogP5.86
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.60
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide (CID 175717348) is 4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide is CNC(=O)C1CCC(C(=O)N(C)[C@H](c2ccc(Nc3cnc4cccnc4c3C3CC3)cc2)C(F)(F)F)CC1.
What is the InChIKey of 4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
The InChIKey is NNFQKLTYZFWGOO-XYVRPBRGSA-N. The full InChI is InChI=1S/C29H32F3N5O2/c1-33-27(38)19-7-9-20(10-8-19)28(39)37(2)26(29(30,31)32)18-11-13-21(14-12-18)36-23-16-35-22-4-3-15-34-25(22)24(23)17-5-6-17/h3-4,11-17,19-20,26,36H,5-10H2,1-2H3,(H,33,38)/t19?,20?,26-/m1/s1.
What are the key properties of 4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide?
4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide has a molecular weight of 539.60 g/mol, XLogP of 5.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1R)-1-[4-[(4-cyclopropyl-1,5-naphthyridin-3-yl)amino]phenyl]-2,2,2-trifluoroethyl]-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 175717348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).