N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride

C16H24Cl2F3N3O — CID 119620729

IUPACN-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCNC1CCCCCC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H22F3N3O.2ClH/c17-16(18,19)14-8-7-12(11-22-14)15(23)21-10-9-20-13-5-3-1-2-4-6-13;;/h7-8,11,13,20H,1-6,9-10H2,(H,21,23);2*1H
InChIKeyXGJVTZRZVDTPQA-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.99
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride

N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 119620729) has the molecular formula C16H24Cl2F3N3O and a molecular weight of 402.29 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
PubChem CID119620729
Molecular FormulaC16H24Cl2F3N3O
Molecular Weight402.29 g/mol
Exact Mass401.12
IUPAC NameN-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCNC1CCCCCC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C16H22F3N3O.2ClH/c17-16(18,19)14-8-7-12(11-22-14)15(23)21-10-9-20-13-5-3-1-2-4-6-13;;/h7-8,11,13,20H,1-6,9-10H2,(H,21,23);2*1H
InChIKeyXGJVTZRZVDTPQA-UHFFFAOYSA-N
XLogP3.99
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119620220
N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 75399276
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124606510
N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119393326
N-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 62359230
N-[2-(cycloheptylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 113283330
1-N,4-N-bis[4-[2-(cyclohexylamino)ethylamino]butyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 512375
N-[2-(cycloheptylamino)ethyl]-2-(trifluoromethyl)benzamide
CID 119619762

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride (CID 119620729) is N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCNC1CCCCCC1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is XGJVTZRZVDTPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O.2ClH/c17-16(18,19)14-8-7-12(11-22-14)15(23)21-10-9-20-13-5-3-1-2-4-6-13;;/h7-8,11,13,20H,1-6,9-10H2,(H,21,23);2*1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride?
N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 402.29 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119620729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).