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

C18H18N6O3 — CID 136537639

IUPACN-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3n[nH]nc3c2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C18H18N6O3/c1-11-2-3-13(9-14(11)18(26)24-4-6-27-7-5-24)20-17(25)12-8-15-16(19-10-12)22-23-21-15/h2-3,8-10H,4-7H2,1H3,(H,20,25)(H,19,21,22,23)
InChIKeyXDRMRZOSTCJLJA-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.39
Rot. Bonds3

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

N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 136537639) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide
PubChem CID136537639
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC NameN-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3n[nH]nc3c2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C18H18N6O3/c1-11-2-3-13(9-14(11)18(26)24-4-6-27-7-5-24)20-17(25)12-8-15-16(19-10-12)22-23-21-15/h2-3,8-10H,4-7H2,1H3,(H,20,25)(H,19,21,22,23)
InChIKeyXDRMRZOSTCJLJA-UHFFFAOYSA-N
XLogP1.39
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide (CID 136537639) is N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide is Cc1ccc(NC(=O)c2cnc3n[nH]nc3c2)cc1C(=O)N1CCOCC1.
What is the InChIKey of N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is XDRMRZOSTCJLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-11-2-3-13(9-14(11)18(26)24-4-6-27-7-5-24)20-17(25)12-8-15-16(19-10-12)22-23-21-15/h2-3,8-10H,4-7H2,1H3,(H,20,25)(H,19,21,22,23).
What are the key properties of N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide?
N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(morpholine-4-carbonyl)phenyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 136537639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).