N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide

C14H17F4N3O2 — CID 119514748

IUPACN-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCC1CCCN1)c1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C14H17F4N3O2/c15-13(16)14(17,18)8-23-11-4-3-9(6-20-11)12(22)21-7-10-2-1-5-19-10/h3-4,6,10,13,19H,1-2,5,7-8H2,(H,21,22)
InChIKeyULJNAPFFECOIHG-UHFFFAOYSA-N
MW335.30 g/mol
LogP1.84
Rot. Bonds7

About N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide

N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide (PubChem CID 119514748) has the molecular formula C14H17F4N3O2 and a molecular weight of 335.30 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
PubChem CID119514748
Molecular FormulaC14H17F4N3O2
Molecular Weight335.30 g/mol
Exact Mass335.13
IUPAC NameN-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCC1CCCN1)c1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C14H17F4N3O2/c15-13(16)14(17,18)8-23-11-4-3-9(6-20-11)12(22)21-7-10-2-1-5-19-10/h3-4,6,10,13,19H,1-2,5,7-8H2,(H,21,22)
InChIKeyULJNAPFFECOIHG-UHFFFAOYSA-N
XLogP1.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.30
LogP ≤ 51.84
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

N-(2-methylpiperidin-3-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 120575234
2-cyclopropyl-2-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]acetic acid
CID 120521258
N-(2-amino-1-cyclohexylethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119592111
1-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 119350550
6-(3-bromophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119513174
N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
CID 119568471
N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119572061
4-(difluoromethylsulfanyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119512475
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
CID 119525133
2-[cyclopropyl-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]propanoic acid
CID 120519325
N-(1-pyrrolidin-2-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 79537456
N-piperidin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119388337

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide (CID 119514748) is N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide is O=C(NCC1CCCN1)c1ccc(OCC(F)(F)C(F)F)nc1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide?
The InChIKey is ULJNAPFFECOIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N3O2/c15-13(16)14(17,18)8-23-11-4-3-9(6-20-11)12(22)21-7-10-2-1-5-19-10/h3-4,6,10,13,19H,1-2,5,7-8H2,(H,21,22).
What are the key properties of N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide?
N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide has a molecular weight of 335.30 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 119514748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).