N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide

C18H18N6O2 — CID 46684120

IUPACN-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C18H18N6O2/c25-18(16-13-20-24(22-16)15-4-2-1-3-5-15)21-14-6-7-17(19-12-14)23-8-10-26-11-9-23/h1-7,12-13H,8-11H2,(H,21,25)
InChIKeyDSEMGHGNGUVUCN-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.75
Rot. Bonds4

About N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide

N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide (PubChem CID 46684120) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide
PubChem CID46684120
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C18H18N6O2/c25-18(16-13-20-24(22-16)15-4-2-1-3-5-15)21-14-6-7-17(19-12-14)23-8-10-26-11-9-23/h1-7,12-13H,8-11H2,(H,21,25)
InChIKeyDSEMGHGNGUVUCN-UHFFFAOYSA-N
XLogP1.75
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]triazole-4-carboxamide
CID 122299278
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122356809
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
5-(4-methoxyphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 55775986
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CID 3975213
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
4-chloro-N-(6-morpholin-4-yl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 18145943
3,4,5-trichloro-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
CID 43038049
2-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119839710
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenyltriazole-4-carboxamide
CID 122300794
2-(4-fluorobenzoyl)-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 46553100

Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide (CID 46684120) is N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide is O=C(Nc1ccc(N2CCOCC2)nc1)c1cnn(-c2ccccc2)n1.
What is the InChIKey of N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide?
The InChIKey is DSEMGHGNGUVUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-18(16-13-20-24(22-16)15-4-2-1-3-5-15)21-14-6-7-17(19-12-14)23-8-10-26-11-9-23/h1-7,12-13H,8-11H2,(H,21,25).
What are the key properties of N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide?
N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide has a molecular weight of 350.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-yl-3-pyridinyl)-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 46684120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).