5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide

C20H22N6O2 — CID 136541846

IUPAC5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(N3CCOCC3)c2)nnn1Cc1ccncc1
InChIInChI=1S/C20H22N6O2/c1-15-19(23-24-26(15)14-16-5-7-21-8-6-16)20(27)22-17-3-2-4-18(13-17)25-9-11-28-12-10-25/h2-8,13H,9-12,14H2,1H3,(H,22,27)
InChIKeyHEZZGGAYCLMPCI-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.12
Rot. Bonds5

About 5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide

5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide (PubChem CID 136541846) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide
PubChem CID136541846
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(N3CCOCC3)c2)nnn1Cc1ccncc1
InChIInChI=1S/C20H22N6O2/c1-15-19(23-24-26(15)14-16-5-7-21-8-6-16)20(27)22-17-3-2-4-18(13-17)25-9-11-28-12-10-25/h2-8,13H,9-12,14H2,1H3,(H,22,27)
InChIKeyHEZZGGAYCLMPCI-UHFFFAOYSA-N
XLogP2.12
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566
1-benzyl-N-[3-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 42603124
1-[(3,5-dichlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]-5-methyltriazole-4-carboxamide
CID 42603167
N-(3-morpholin-4-ylphenyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110612953
1-[(3,4-dichlorophenyl)methyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]-5-methyltriazole-4-carboxamide
CID 42603359
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
2-[3-[[1-[(3,5-dichlorophenyl)methyl]-5-methyltriazole-4-carbonyl]amino]phenyl]propanoic acid
CID 135204877
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612975
4-[[1-[(3,4-dichlorophenyl)methyl]-5-methyltriazole-4-carbonyl]amino]phthalic acid
CID 67381807
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide (CID 136541846) is 5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(N3CCOCC3)c2)nnn1Cc1ccncc1.
What is the InChIKey of 5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide?
The InChIKey is HEZZGGAYCLMPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-15-19(23-24-26(15)14-16-5-7-21-8-6-16)20(27)22-17-3-2-4-18(13-17)25-9-11-28-12-10-25/h2-8,13H,9-12,14H2,1H3,(H,22,27).
What are the key properties of 5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide?
5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-morpholin-4-ylphenyl)-1-(pyridin-4-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 136541846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).