3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide

C19H20N6O3 — CID 167901133

IUPAC3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide
SMILESCc1c(NC(=O)c2cnc3c(c2)nnn3C)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C19H20N6O3/c1-12-14(19(27)25-6-8-28-9-7-25)4-3-5-15(12)21-18(26)13-10-16-17(20-11-13)24(2)23-22-16/h3-5,10-11H,6-9H2,1-2H3,(H,21,26)
InChIKeyBHWIFLMMRVAIOP-UHFFFAOYSA-N
MW380.41 g/mol
LogP1.40
Rot. Bonds3

About 3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide

3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 167901133) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide
PubChem CID167901133
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC Name3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide
SMILESCc1c(NC(=O)c2cnc3c(c2)nnn3C)cccc1C(=O)N1CCOCC1
InChIInChI=1S/C19H20N6O3/c1-12-14(19(27)25-6-8-28-9-7-25)4-3-5-15(12)21-18(26)13-10-16-17(20-11-13)24(2)23-22-16/h3-5,10-11H,6-9H2,1-2H3,(H,21,26)
InChIKeyBHWIFLMMRVAIOP-UHFFFAOYSA-N
XLogP1.40
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
CID 136518690
4-(acetamidomethyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 136578771
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 56521159
N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119304348
2-cyclopropyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]propanamide
CID 126786282
4-[[2-methyl-3-(morpholine-4-carbonyl)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122077590
3-fluoro-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 727290
3-ethoxy-N-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 4957459
[3-[(2,5-dimethylphenyl)methylamino]-2-methylphenyl]-morpholin-4-ylmethanone
CID 47622276
1-[2-methyl-3-(morpholine-4-carbonyl)phenyl]-3-(2-pyridin-2-ylethyl)urea
CID 60569503
N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide
CID 136537639
(E)-3-(2,6-dichlorophenyl)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 94642545

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide (CID 167901133) is 3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide is Cc1c(NC(=O)c2cnc3c(c2)nnn3C)cccc1C(=O)N1CCOCC1.
What is the InChIKey of 3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is BHWIFLMMRVAIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-12-14(19(27)25-6-8-28-9-7-25)4-3-5-15(12)21-18(26)13-10-16-17(20-11-13)24(2)23-22-16/h3-5,10-11H,6-9H2,1-2H3,(H,21,26).
What are the key properties of 3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide?
3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]triazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 167901133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).