N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide

C23H19ClF3N5O3 — CID 70854518

IUPACN-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESCC(NC(=O)C1(NC(=O)c2cncnc2)CC1)c1ncc(Oc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C23H19ClF3N5O3/c1-13(31-21(34)22(6-7-22)32-20(33)14-9-28-12-29-10-14)19-17(24)8-15(11-30-19)35-18-5-3-2-4-16(18)23(25,26)27/h2-5,8-13H,6-7H2,1H3,(H,31,34)(H,32,33)
InChIKeyTVPPMIROYSMJOX-UHFFFAOYSA-N
MW505.88 g/mol
LogP4.48
Rot. Bonds7

About N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide

N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide (PubChem CID 70854518) has the molecular formula C23H19ClF3N5O3 and a molecular weight of 505.88 g/mol. Its IUPAC name is N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
PubChem CID70854518
Molecular FormulaC23H19ClF3N5O3
Molecular Weight505.88 g/mol
Exact Mass505.11
IUPAC NameN-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESCC(NC(=O)C1(NC(=O)c2cncnc2)CC1)c1ncc(Oc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C23H19ClF3N5O3/c1-13(31-21(34)22(6-7-22)32-20(33)14-9-28-12-29-10-14)19-17(24)8-15(11-30-19)35-18-5-3-2-4-16(18)23(25,26)27/h2-5,8-13H,6-7H2,1H3,(H,31,34)(H,32,33)
InChIKeyTVPPMIROYSMJOX-UHFFFAOYSA-N
XLogP4.48
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.88
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 70854591
N-[1-[[3-chloro-5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 70854450
pyrimidin-5-yl N-[1-[[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamate
CID 68759527
N-[1-[[(1S)-1-[5-[4-chloro-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496484
N-[1-[1-[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496470
pyrimidin-5-yl N-[1-[1-[2-chloro-4-(2-chlorophenoxy)phenyl]ethylcarbamoyl]cyclopropyl]carbamate
CID 91110052
N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]pyrimidin-2-yl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 70854465
N-[1-[[4-phenoxy-3-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 25232589
pyrimidin-5-yl N-[1-[1-[4-(2-chlorophenoxy)-2-fluorophenyl]ethylcarbamoyl]cyclopropyl]carbamate
CID 91338734
pyrimidin-5-yl N-[1-[1-[5-[4-chloro-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]ethylcarbamoyl]cyclopropyl]carbamate
CID 77153886
N-[1-[[3-fluoro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-2-(methylamino)pyrimidine-5-carboxamide
CID 70854590
N-[1-[[4-[4-chloro-2-(trifluoromethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 66792381

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide (CID 70854518) is N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide is CC(NC(=O)C1(NC(=O)c2cncnc2)CC1)c1ncc(Oc2ccccc2C(F)(F)F)cc1Cl.
What is the InChIKey of N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The InChIKey is TVPPMIROYSMJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O3/c1-13(31-21(34)22(6-7-22)32-20(33)14-9-28-12-29-10-14)19-17(24)8-15(11-30-19)35-18-5-3-2-4-16(18)23(25,26)27/h2-5,8-13H,6-7H2,1H3,(H,31,34)(H,32,33).
What are the key properties of N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide has a molecular weight of 505.88 g/mol, XLogP of 4.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 70854518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).