2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide

C14H18F3N3O — CID 82795257

IUPAC2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)12-7-6-9(8-19-12)20-13(21)10-4-2-1-3-5-11(10)18/h6-8,10-11H,1-5,18H2,(H,20,21)
InChIKeyLBRZGDPBRLMNSS-UHFFFAOYSA-N
MW301.31 g/mol
LogP2.95
Rot. Bonds2

About 2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide

2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide (PubChem CID 82795257) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide
PubChem CID82795257
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide
SMILESNC1CCCCCC1C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H18F3N3O/c15-14(16,17)12-7-6-9(8-19-12)20-13(21)10-4-2-1-3-5-11(10)18/h6-8,10-11H,1-5,18H2,(H,20,21)
InChIKeyLBRZGDPBRLMNSS-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[6-(dimethylamino)-3-pyridinyl]cyclohexane-1-carboxamide
CID 64822752
N-[6-(trifluoromethyl)-3-pyridinyl]cyclopropanecarboxamide
CID 82707218
2-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670661
2-amino-N-(6-methylsulfonyl-3-pyridinyl)cyclopentane-1-carboxamide
CID 64823132
2-amino-N-(6-imidazol-1-yl-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822564
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-(4-bromophenyl)cyclohexane-1-carboxamide
CID 64816780
trans-(1R,2R)-2-amino-N-phenylcyclohexane-1-carboxamide
CID 10889384
2-amino-N-[4-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 64818115
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
2-amino-N-pyridin-3-ylcyclopentane-1-carboxamide
CID 64817349
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide?
The IUPAC name of 2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide (CID 82795257) is 2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide?
The canonical SMILES for 2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide is NC1CCCCCC1C(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide?
The InChIKey is LBRZGDPBRLMNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O/c15-14(16,17)12-7-6-9(8-19-12)20-13(21)10-4-2-1-3-5-11(10)18/h6-8,10-11H,1-5,18H2,(H,20,21).
What are the key properties of 2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide?
2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(trifluoromethyl)-3-pyridinyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 82795257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).