N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide

C19H22N6O2 — CID 118457524

IUPACN-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCn1cnnc1C1=CC=CC(NC(=O)c2cc(N3CCOCC3)ccn2)C1
InChIInChI=1S/C19H22N6O2/c1-24-13-21-23-18(24)14-3-2-4-15(11-14)22-19(26)17-12-16(5-6-20-17)25-7-9-27-10-8-25/h2-6,12-13,15H,7-11H2,1H3,(H,22,26)
InChIKeyZEBAHQDEIONXBF-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.19
Rot. Bonds4

About N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide

N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide (PubChem CID 118457524) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide
PubChem CID118457524
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide
SMILESCn1cnnc1C1=CC=CC(NC(=O)c2cc(N3CCOCC3)ccn2)C1
InChIInChI=1S/C19H22N6O2/c1-24-13-21-23-18(24)14-3-2-4-15(11-14)22-19(26)17-12-16(5-6-20-17)25-7-9-27-10-8-25/h2-6,12-13,15H,7-11H2,1H3,(H,22,26)
InChIKeyZEBAHQDEIONXBF-UHFFFAOYSA-N
XLogP1.19
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 57378392
2-Methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid (2-diethylamino-[1,2,4]triazolo [1,5-a]pyridin-6-yl)-amide
CID 71538688
(3S)-2-(2-methoxyethyl)-3-methyl-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 122604219
N-(2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-5-carboxamide
CID 57377848
N4,N4-diethyl-1-methyl-N5-(2-morpholino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide
CID 57377851
N4,N4,1-trimethyl-N5-(2-morpholino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide
CID 57377852
N4-ethyl-N4,1-dimethyl-N5-(2-morpholino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide
CID 57377853
N4-cyclopentyl-N4,1-dimethyl-N5-(2-morpholino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide
CID 57378067
N4-cyclopropyl-N4,1-dimethyl-N5-(2-morpholino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide
CID 57378068
2-methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid [2-(ethyl-methyl-amino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378181
4-N-cyclopropyl-1-methyl-5-N-(2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
CID 67959667
2-Methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid [2-(cyclopropyl-methyl-amino)-[1,2,4]triazolo[1,5-a]pyridine-7-yl]-amide
CID 67968025

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The IUPAC name of N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide (CID 118457524) is N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The canonical SMILES for N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide is Cn1cnnc1C1=CC=CC(NC(=O)c2cc(N3CCOCC3)ccn2)C1.
What is the InChIKey of N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
The InChIKey is ZEBAHQDEIONXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-24-13-21-23-18(24)14-3-2-4-15(11-14)22-19(26)17-12-16(5-6-20-17)25-7-9-27-10-8-25/h2-6,12-13,15H,7-11H2,1H3,(H,22,26).
What are the key properties of N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide?
N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide has a molecular weight of 366.43 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methyl-1,2,4-triazol-3-yl)cyclohexa-2,4-dien-1-yl]-4-morpholin-4-ylpyridine-2-carboxamide is sourced from PubChem (CID 118457524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).