3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide

C13H17F3N4O — CID 70897245

IUPAC3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cc(C(F)(F)F)ccn2)CC1N
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)8-3-4-19-11(6-8)20-12(21)7-1-2-9(17)10(18)5-7/h3-4,6-7,9-10H,1-2,5,17-18H2,(H,19,20,21)
InChIKeySUBBRIKZTKOKAG-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.49
Rot. Bonds2

About 3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide

3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 70897245) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide
PubChem CID70897245
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cc(C(F)(F)F)ccn2)CC1N
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)8-3-4-19-11(6-8)20-12(21)7-1-2-9(17)10(18)5-7/h3-4,6-7,9-10H,1-2,5,17-18H2,(H,19,20,21)
InChIKeySUBBRIKZTKOKAG-UHFFFAOYSA-N
XLogP1.49
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(trifluoromethyl)-2-pyridinyl]pyrazolidine-3-carboxamide
CID 123713117
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
(2R,5R)-5-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]oxolane-2-carboxamide
CID 99819991
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79526027
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
tert-butyl 2-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 70865351
N-cyclopropyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]acetamide
CID 66329445
2-[1-[(1S,2S)-2-aminocyclohexanecarbonyl]piperidin-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 51036090
1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine
CID 66329078
N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
CID 142586783
N-[4-[4-[2-methyl-4-(trifluoromethyl)phenoxy]butanoyl]-2-pyridinyl]cyclopropanecarboxamide
CID 160918694
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339

Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide (CID 70897245) is 3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide is NC1CCC(C(=O)Nc2cc(C(F)(F)F)ccn2)CC1N.
What is the InChIKey of 3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is SUBBRIKZTKOKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)8-3-4-19-11(6-8)20-12(21)7-1-2-9(17)10(18)5-7/h3-4,6-7,9-10H,1-2,5,17-18H2,(H,19,20,21).
What are the key properties of 3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide?
3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-N-[4-(trifluoromethyl)-2-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 70897245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).