N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide

C19H19FN2O2 — CID 141060333

IUPACN-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
SMILESO=C(NCC1=CCCCC1)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c20-15-8-10-16(11-9-15)24-19-17(7-4-12-21-19)18(23)22-13-14-5-2-1-3-6-14/h4-5,7-12H,1-3,6,13H2,(H,22,23)
InChIKeyOTRJCSYKRXISJD-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.24
Rot. Bonds5

About N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide

N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide (PubChem CID 141060333) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
PubChem CID141060333
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide
SMILESO=C(NCC1=CCCCC1)c1cccnc1Oc1ccc(F)cc1
InChIInChI=1S/C19H19FN2O2/c20-15-8-10-16(11-9-15)24-19-17(7-4-12-21-19)18(23)22-13-14-5-2-1-3-6-14/h4-5,7-12H,1-3,6,13H2,(H,22,23)
InChIKeyOTRJCSYKRXISJD-UHFFFAOYSA-N
XLogP4.24
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 22612296
methyl 2-[4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]-2-methylpropanoate
CID 10159242
CID 87932328
CID 87932328
2-(4-fluorophenoxy)pyridine-3-carboxylic acid
CID 605123
ethyl 2-[3-fluoro-4-[[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]methyl]phenyl]acetate
CID 69414854
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 26999108
2-ethoxy-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 55800925
2-(4-bromophenoxy)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 39283941
4-[[2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 22058409
2-[4-(pyridin-2-ylamino)phenoxy]-N-[[6-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]pyridine-3-carboxamide
CID 70875244
2-(4-bromophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylpyridine-3-carboxamide
CID 55687965
3-[2-(4-fluorophenoxy)-3-pyridinyl]-3-hydroxyprop-2-enoic acid
CID 70069253

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide (CID 141060333) is N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide is O=C(NCC1=CCCCC1)c1cccnc1Oc1ccc(F)cc1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide?
The InChIKey is OTRJCSYKRXISJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-15-8-10-16(11-9-15)24-19-17(7-4-12-21-19)18(23)22-13-14-5-2-1-3-6-14/h4-5,7-12H,1-3,6,13H2,(H,22,23).
What are the key properties of N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide?
N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-2-(4-fluorophenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 141060333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).