2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

C18H16F3N3O2 — CID 109136961

IUPAC2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccccn1)C1CC1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)11-4-3-6-12(8-11)24-17(26)15-9-14(15)16(25)23-10-13-5-1-2-7-22-13/h1-8,14-15H,9-10H2,(H,23,25)(H,24,26)
InChIKeyHDPVVBYFUGTZAI-UHFFFAOYSA-N
MW363.34 g/mol
LogP2.99
Rot. Bonds5

About 2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109136961) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109136961
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESO=C(NCc1ccccn1)C1CC1C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)11-4-3-6-12(8-11)24-17(26)15-9-14(15)16(25)23-10-13-5-1-2-7-22-13/h1-8,14-15H,9-10H2,(H,23,25)(H,24,26)
InChIKeyHDPVVBYFUGTZAI-UHFFFAOYSA-N
XLogP2.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(pyridin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2897923
1-N-(3,4-difluorophenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137014
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
2-N-[2-(2-fluorophenyl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109137657
2-N-(pyridin-2-ylmethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109136993
2-N-cyclohexyl-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132496
1-N-(2,4-dichlorophenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136999
N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109120891
6-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157711
5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109283161
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109132859
1-N-(2-methyl-6-propan-2-ylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136931

Frequently Asked Questions

What is the IUPAC name of 2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109136961) is 2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is O=C(NCc1ccccn1)C1CC1C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is HDPVVBYFUGTZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)11-4-3-6-12(8-11)24-17(26)15-9-14(15)16(25)23-10-13-5-1-2-7-22-13/h1-8,14-15H,9-10H2,(H,23,25)(H,24,26).
What are the key properties of 2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 363.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(pyridin-2-ylmethyl)-1-N-[3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).