2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone

C18H20N6O2 — CID 155901308

IUPAC2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCNc1cc(C)nc(C2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)c1
InChIInChI=1S/C18H20N6O2/c1-11-7-13(19-2)9-16(20-11)17-10-24(5-6-26-17)18(25)12-3-4-14-15(8-12)22-23-21-14/h3-4,7-9,17H,5-6,10H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyCRRIUCYBPBOFHR-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.92
Rot. Bonds3

About 2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone

2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone (PubChem CID 155901308) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
PubChem CID155901308
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
SMILESCNc1cc(C)nc(C2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)c1
InChIInChI=1S/C18H20N6O2/c1-11-7-13(19-2)9-16(20-11)17-10-24(5-6-26-17)18(25)12-3-4-14-15(8-12)22-23-21-14/h3-4,7-9,17H,5-6,10H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyCRRIUCYBPBOFHR-UHFFFAOYSA-N
XLogP1.92
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethylpyrazol-4-yl)-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 110113502
(2-fluorophenyl)-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 125015560
1H-indol-2-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 110113526
[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]morpholin-4-yl]-phenylmethanone
CID 124967445
(E)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 124951344
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
CID 124955633
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-[(6-methyl-2-pyridinyl)amino]-2-pyridinyl]morpholin-4-yl]methanone
CID 124960863
1-[(2S)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124990126
[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 110115591
2H-benzotriazol-5-yl-[(2R)-2-(4-methylpentyl)morpholin-4-yl]methanone
CID 42519260
3-(3-fluorophenyl)-1-[(2R)-2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
CID 124960389
2,3-dihydro-1,4-benzodioxin-6-yl-[(2R)-2-[6-methyl-4-(pyridin-2-ylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124952717

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone (CID 155901308) is 2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone is CNc1cc(C)nc(C2CN(C(=O)c3ccc4n[nH]nc4c3)CCO2)c1.
What is the InChIKey of 2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
The InChIKey is CRRIUCYBPBOFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-7-13(19-2)9-16(20-11)17-10-24(5-6-26-17)18(25)12-3-4-14-15(8-12)22-23-21-14/h3-4,7-9,17H,5-6,10H2,1-2H3,(H,19,20)(H,21,22,23).
What are the key properties of 2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone?
2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone has a molecular weight of 352.40 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[2-[6-methyl-4-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone is sourced from PubChem (CID 155901308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).