3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide

C19H19FN6O2 — CID 154802459

IUPAC3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide
SMILESO=C(NCc1nc(-c2ccncc2)n[nH]1)N1CCOCC1c1ccc(F)cc1
InChIInChI=1S/C19H19FN6O2/c20-15-3-1-13(2-4-15)16-12-28-10-9-26(16)19(27)22-11-17-23-18(25-24-17)14-5-7-21-8-6-14/h1-8,16H,9-12H2,(H,22,27)(H,23,24,25)
InChIKeyUYQSHSHUHWQUKM-UHFFFAOYSA-N
MW382.40 g/mol
LogP2.29
Rot. Bonds4

About 3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide

3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide (PubChem CID 154802459) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide
PubChem CID154802459
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide
SMILESO=C(NCc1nc(-c2ccncc2)n[nH]1)N1CCOCC1c1ccc(F)cc1
InChIInChI=1S/C19H19FN6O2/c20-15-3-1-13(2-4-15)16-12-28-10-9-26(16)19(27)22-11-17-23-18(25-24-17)14-5-7-21-8-6-14/h1-8,16H,9-12H2,(H,22,27)(H,23,24,25)
InChIKeyUYQSHSHUHWQUKM-UHFFFAOYSA-N
XLogP2.29
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663815
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663846
N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 53338110
4-[[[(3R)-3-phenylmorpholine-4-carbonyl]amino]methyl]benzoic acid
CID 129468648
4-amino-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]benzamide
CID 82569633
N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,3-thiazole-2-carboxamide
CID 25106890
(4-fluorophenyl)-(3-phenylmorpholin-4-yl)methanone
CID 110728336
tert-butyl N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]carbamate
CID 71124077
1-acetyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]-1,4-diazaspiro[5.5]undecane-4-carboxamide
CID 128738142
2-(2-fluorophenoxy)-1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663877
2-[2-[3-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110663852
1-benzoyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine-2-carboxamide
CID 131929739

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide (CID 154802459) is 3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide is O=C(NCc1nc(-c2ccncc2)n[nH]1)N1CCOCC1c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide?
The InChIKey is UYQSHSHUHWQUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-15-3-1-13(2-4-15)16-12-28-10-9-26(16)19(27)22-11-17-23-18(25-24-17)14-5-7-21-8-6-14/h1-8,16H,9-12H2,(H,22,27)(H,23,24,25).
What are the key properties of 3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide?
3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide has a molecular weight of 382.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 154802459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).