N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide

C15H21F4N3O2 — CID 119572061

IUPACN-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C15H21F4N3O2/c1-3-14(4-2,8-20)22-12(23)10-5-6-11(21-7-10)24-9-15(18,19)13(16)17/h5-7,13H,3-4,8-9,20H2,1-2H3,(H,22,23)
InChIKeyUESRQAJFVUOTCI-UHFFFAOYSA-N
MW351.34 g/mol
LogP2.61
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide

N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide (PubChem CID 119572061) has the molecular formula C15H21F4N3O2 and a molecular weight of 351.34 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
PubChem CID119572061
Molecular FormulaC15H21F4N3O2
Molecular Weight351.34 g/mol
Exact Mass351.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
SMILESCCC(CC)(CN)NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C15H21F4N3O2/c1-3-14(4-2,8-20)22-12(23)10-5-6-11(21-7-10)24-9-15(18,19)13(16)17/h5-7,13H,3-4,8-9,20H2,1-2H3,(H,22,23)
InChIKeyUESRQAJFVUOTCI-UHFFFAOYSA-N
XLogP2.61
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.34
LogP ≤ 52.61
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-(1-amino-2-methylpropan-2-yl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
CID 119525133
N-[1-(aminomethyl)cyclopentyl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide;hydrochloride
CID 119568471
N-[3-(aminomethyl)pentan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119570954
N-(1-amino-2-methylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 119523407
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
N-(pyrrolidin-2-ylmethyl)-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide
CID 119514748
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-ethyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 70972173
N-(3-ethylpentan-3-yl)-6-hydrazinylpyridine-3-carboxamide
CID 65042874
2-[3-[[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 120524735

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide (CID 119572061) is N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide is CCC(CC)(CN)NC(=O)c1ccc(OCC(F)(F)C(F)F)nc1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide?
The InChIKey is UESRQAJFVUOTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F4N3O2/c1-3-14(4-2,8-20)22-12(23)10-5-6-11(21-7-10)24-9-15(18,19)13(16)17/h5-7,13H,3-4,8-9,20H2,1-2H3,(H,22,23).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide?
N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide has a molecular weight of 351.34 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 119572061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).