2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide

C26H34N6O4 — CID 174727837

IUPAC2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide
SMILESCCCCC(C(N)=O)c1nn(-c2ccc(CCN3CCOCC3)cn2)c(=O)n1-c1ccccc1OC
InChIInChI=1S/C26H34N6O4/c1-3-4-7-20(24(27)33)25-29-32(26(34)31(25)21-8-5-6-9-22(21)35-2)23-11-10-19(18-28-23)12-13-30-14-16-36-17-15-30/h5-6,8-11,18,20H,3-4,7,12-17H2,1-2H3,(H2,27,33)
InChIKeyKBSLCPDHXOVAQR-UHFFFAOYSA-N
MW494.60 g/mol
LogP2.06
Rot. Bonds11

About 2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide

2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide (PubChem CID 174727837) has the molecular formula C26H34N6O4 and a molecular weight of 494.60 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide
PubChem CID174727837
Molecular FormulaC26H34N6O4
Molecular Weight494.60 g/mol
Exact Mass494.26
IUPAC Name2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide
SMILESCCCCC(C(N)=O)c1nn(-c2ccc(CCN3CCOCC3)cn2)c(=O)n1-c1ccccc1OC
InChIInChI=1S/C26H34N6O4/c1-3-4-7-20(24(27)33)25-29-32(26(34)31(25)21-8-5-6-9-22(21)35-2)23-11-10-19(18-28-23)12-13-30-14-16-36-17-15-30/h5-6,8-11,18,20H,3-4,7,12-17H2,1-2H3,(H2,27,33)
InChIKeyKBSLCPDHXOVAQR-UHFFFAOYSA-N
XLogP2.06
TPSA117.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide with MolForge

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Related Compounds

N-tert-butyl-2-[4-(3-chlorophenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]acetamide
CID 90370534
N-tert-butyl-2-[3-(3-chlorophenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-4-yl]acetamide
CID 56952998
2-morpholin-4-ylethyl 2-(2-methoxyphenoxy)acetate
CID 23620376
1-butyl-2-(2-methoxyphenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 55906830
5-(3-chloro-4-fluorophenyl)-4-(4-methyl-2-oxopentyl)-2-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-1,2,4-triazol-3-one
CID 161345670
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
2-(2-methoxyphenoxy)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073699
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
2-(2-methoxyphenyl)-3-morpholin-4-ylpropanoic acid
CID 82091723
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 42701779
4-[5-[[4-(2-phenylethyl)piperazin-1-yl]methyl]-2-pyridinyl]morpholine
CID 24784906

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide?
The IUPAC name of 2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide (CID 174727837) is 2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide?
The canonical SMILES for 2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide is CCCCC(C(N)=O)c1nn(-c2ccc(CCN3CCOCC3)cn2)c(=O)n1-c1ccccc1OC.
What is the InChIKey of 2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide?
The InChIKey is KBSLCPDHXOVAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O4/c1-3-4-7-20(24(27)33)25-29-32(26(34)31(25)21-8-5-6-9-22(21)35-2)23-11-10-19(18-28-23)12-13-30-14-16-36-17-15-30/h5-6,8-11,18,20H,3-4,7,12-17H2,1-2H3,(H2,27,33).
What are the key properties of 2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide?
2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide has a molecular weight of 494.60 g/mol, XLogP of 2.06, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)-1-[5-(2-morpholin-4-ylethyl)-2-pyridinyl]-5-oxo-1,2,4-triazol-3-yl]hexanamide is sourced from PubChem (CID 174727837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).