N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C14H17F3N2O2 — CID 116547155

IUPACN-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-3-4-11(18-7-10)12(21)19-8-13(9-20)5-1-2-6-13/h3-4,7,20H,1-2,5-6,8-9H2,(H,19,21)
InChIKeyOQAVLTYEHMVNNC-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.38
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 116547155) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID116547155
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-3-4-11(18-7-10)12(21)19-8-13(9-20)5-1-2-6-13/h3-4,7,20H,1-2,5-6,8-9H2,(H,19,21)
InChIKeyOQAVLTYEHMVNNC-UHFFFAOYSA-N
XLogP2.38
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909451
N-[(4-hydroxyoxan-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115664962
N-[1-(bromomethyl)cyclohexyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909406
N-[(E)-4-chlorobut-2-enyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114909073
2-[1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104638357
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 112699813
N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
CID 91954428
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103843189
N-[(4-hydroxyphenyl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115577921
5-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-2-carboxamide
CID 113359954
N-[2-(ethylamino)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113265555

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 116547155) is N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(NCC1(CO)CCCC1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is OQAVLTYEHMVNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)10-3-4-11(18-7-10)12(21)19-8-13(9-20)5-1-2-6-13/h3-4,7,20H,1-2,5-6,8-9H2,(H,19,21).
What are the key properties of N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 116547155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).