(2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C19H21N3O4 — CID 31519863

IUPAC(2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESC[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C19H21N3O4/c1-13-18(26-16-5-3-2-4-15(16)25-13)19(23)21-14-6-7-17(20-12-14)22-8-10-24-11-9-22/h2-7,12-13,18H,8-11H2,1H3,(H,21,23)/t13-,18+/m0/s1
InChIKeyHNEVDVUADZMQRQ-SCLBCKFNSA-N
MW355.39 g/mol
LogP2.09
Rot. Bonds3

About (2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 31519863) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID31519863
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESC[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C19H21N3O4/c1-13-18(26-16-5-3-2-4-15(16)25-13)19(23)21-14-6-7-17(20-12-14)22-8-10-24-11-9-22/h2-7,12-13,18H,8-11H2,1H3,(H,21,23)/t13-,18+/m0/s1
InChIKeyHNEVDVUADZMQRQ-SCLBCKFNSA-N
XLogP2.09
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide 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

N-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 126784589
(2R,3S)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)morpholine-3-carboxamide
CID 120938472
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55749921
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 167869501
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
2-amino-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 119946355
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
N-(6-morpholin-4-yl-3-pyridinyl)-2-(9-oxoacridin-10-yl)acetamide
CID 26053246

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 31519863) is (2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of (2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is HNEVDVUADZMQRQ-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-18(26-16-5-3-2-4-15(16)25-13)19(23)21-14-6-7-17(20-12-14)22-8-10-24-11-9-22/h2-7,12-13,18H,8-11H2,1H3,(H,21,23)/t13-,18+/m0/s1.
What are the key properties of (2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 31519863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).