N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide

C24H24F4N4O — CID 143298487

IUPACN-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide
SMILESN#CC1(NC(=O)C2(N[C@@H](c3ccc(F)cc3)C(F)(F)F)CC2CCCc2ccccn2)CC1
InChIInChI=1S/C24H24F4N4O/c25-18-9-7-16(8-10-18)20(24(26,27)28)31-23(21(33)32-22(15-29)11-12-22)14-17(23)4-3-6-19-5-1-2-13-30-19/h1-2,5,7-10,13,17,20,31H,3-4,6,11-12,14H2,(H,32,33)/t17?,20-,23?/m0/s1
InChIKeyBWUYAEYUVCMUEK-GTPZEUEISA-N
MW460.48 g/mol
LogP4.37
Rot. Bonds9

About N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide

N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide (PubChem CID 143298487) has the molecular formula C24H24F4N4O and a molecular weight of 460.48 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide
PubChem CID143298487
Molecular FormulaC24H24F4N4O
Molecular Weight460.48 g/mol
Exact Mass460.19
IUPAC NameN-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide
SMILESN#CC1(NC(=O)C2(N[C@@H](c3ccc(F)cc3)C(F)(F)F)CC2CCCc2ccccn2)CC1
InChIInChI=1S/C24H24F4N4O/c25-18-9-7-16(8-10-18)20(24(26,27)28)31-23(21(33)32-22(15-29)11-12-22)14-17(23)4-3-6-19-5-1-2-13-30-19/h1-2,5,7-10,13,17,20,31H,3-4,6,11-12,14H2,(H,32,33)/t17?,20-,23?/m0/s1
InChIKeyBWUYAEYUVCMUEK-GTPZEUEISA-N
XLogP4.37
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide?
The IUPAC name of N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide (CID 143298487) is N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide is N#CC1(NC(=O)C2(N[C@@H](c3ccc(F)cc3)C(F)(F)F)CC2CCCc2ccccn2)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide?
The InChIKey is BWUYAEYUVCMUEK-GTPZEUEISA-N. The full InChI is InChI=1S/C24H24F4N4O/c25-18-9-7-16(8-10-18)20(24(26,27)28)31-23(21(33)32-22(15-29)11-12-22)14-17(23)4-3-6-19-5-1-2-13-30-19/h1-2,5,7-10,13,17,20,31H,3-4,6,11-12,14H2,(H,32,33)/t17?,20-,23?/m0/s1.
What are the key properties of N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide?
N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide has a molecular weight of 460.48 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-2-(3-pyridin-2-ylpropyl)-1-[[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino]cyclopropane-1-carboxamide is sourced from PubChem (CID 143298487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).