N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride

C15H20ClF4N3O2 — CID 119568471

IUPACN-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CCCC1
InChIInChI=1S/C15H19F4N3O2.ClH/c16-13(17)15(18,19)9-24-11-4-3-10(7-21-11)12(23)22-14(8-20)5-1-2-6-14;/h3-4,7,13H,1-2,5-6,8-9,20H2,(H,22,23);1H
InChIKeyCWDUSHSDNWRUBO-UHFFFAOYSA-N
MW385.79 g/mol
LogP2.78
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride (PubChem CID 119568471) has the molecular formula C15H20ClF4N3O2 and a molecular weight of 385.79 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
PubChem CID119568471
Molecular FormulaC15H20ClF4N3O2
Molecular Weight385.79 g/mol
Exact Mass385.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CCCC1
InChIInChI=1S/C15H19F4N3O2.ClH/c16-13(17)15(18,19)9-24-11-4-3-10(7-21-11)12(23)22-14(8-20)5-1-2-6-14;/h3-4,7,13H,1-2,5-6,8-9,20H2,(H,22,23);1H
InChIKeyCWDUSHSDNWRUBO-UHFFFAOYSA-N
XLogP2.78
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.79
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119350550
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
CID 119525133
N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119572061
N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119592111
N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119514748
N-[1-(aminomethyl)cyclopentyl]-6-methylpyridine-3-carboxamide
CID 63753423
2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120521258
N-[1-(aminomethyl)cyclohexyl]-6-methylpyridine-3-carboxamide
CID 63755844
N-(2-methylpiperidin-3-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 120575234
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methanone;hydrochloride
CID 120816508
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride (CID 119568471) is N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride is Cl.NCC1(NC(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride?
The InChIKey is CWDUSHSDNWRUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N3O2.ClH/c16-13(17)15(18,19)9-24-11-4-3-10(7-21-11)12(23)22-14(8-20)5-1-2-6-14;/h3-4,7,13H,1-2,5-6,8-9,20H2,(H,22,23);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride has a molecular weight of 385.79 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119568471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).