(2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide

C17H17N3O4 — CID 97105209

IUPAC(2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCO[C@@H](c2cccnc2)C1
InChIInChI=1S/C17H17N3O4/c21-17(19-13-3-4-14-15(8-13)24-11-23-14)20-6-7-22-16(10-20)12-2-1-5-18-9-12/h1-5,8-9,16H,6-7,10-11H2,(H,19,21)/t16-/m1/s1
InChIKeyYPWACVUBRYBAFG-MRXNPFEDSA-N
MW327.34 g/mol
LogP2.42
Rot. Bonds2

About (2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide

(2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide (PubChem CID 97105209) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is (2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide
PubChem CID97105209
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name(2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)N1CCO[C@@H](c2cccnc2)C1
InChIInChI=1S/C17H17N3O4/c21-17(19-13-3-4-14-15(8-13)24-11-23-14)20-6-7-22-16(10-20)12-2-1-5-18-9-12/h1-5,8-9,16H,6-7,10-11H2,(H,19,21)/t16-/m1/s1
InChIKeyYPWACVUBRYBAFG-MRXNPFEDSA-N
XLogP2.42
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(2-methyltetrazol-5-yl)morpholine-4-carboxamide
CID 162637516
N-(1,3-benzodioxol-5-yl)-4-[(2R)-oxolane-2-carbonyl]piperazine-1-carboxamide
CID 970148
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 72859374
N-(3-fluoro-4-methylphenyl)-2-phenylmorpholine-4-carboxamide
CID 86987031
(2S)-N-[3-(1,3-oxazol-2-yl)phenyl]-2-phenylmorpholine-4-carboxamide
CID 124614069
1,3-benzodioxol-5-yl-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 125012365
(3R,4R)-N-(1,3-benzodioxol-5-yl)-3-fluoro-4-hydroxypyrrolidine-1-carboxamide
CID 131923741
1-(1,3-benzodioxol-5-ylcarbamoyl)piperidine-3-carboxylic acid
CID 43318323
(2S)-2-cyano-N-pyridin-3-ylmorpholine-4-carboxamide
CID 97204217
N-phenyl-4-(2-phenylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 128925946
N-(1,3-benzodioxol-5-yl)-2-pyridin-3-yloxyacetamide
CID 110863204

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide (CID 97105209) is (2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)N1CCO[C@@H](c2cccnc2)C1.
What is the InChIKey of (2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide?
The InChIKey is YPWACVUBRYBAFG-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-17(19-13-3-4-14-15(8-13)24-11-23-14)20-6-7-22-16(10-20)12-2-1-5-18-9-12/h1-5,8-9,16H,6-7,10-11H2,(H,19,21)/t16-/m1/s1.
What are the key properties of (2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide?
(2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-benzodioxol-5-yl)-2-pyridin-3-ylmorpholine-4-carboxamide is sourced from PubChem (CID 97105209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).