(2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide

C19H21N3O4 — CID 120941450

IUPAC(2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C19H21N3O4/c1-12-18(20-7-8-24-12)19(23)22-17-4-2-3-14(21-17)13-5-6-15-16(11-13)26-10-9-25-15/h2-6,11-12,18,20H,7-10H2,1H3,(H,21,22,23)/t12-,18+/m1/s1
InChIKeyJCAJLLRXZBPNQN-XIKOKIGWSA-N
MW355.39 g/mol
LogP1.84
Rot. Bonds3

About (2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120941450) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
PubChem CID120941450
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1
InChIInChI=1S/C19H21N3O4/c1-12-18(20-7-8-24-12)19(23)22-17-4-2-3-14(21-17)13-5-6-15-16(11-13)26-10-9-25-15/h2-6,11-12,18,20H,7-10H2,1H3,(H,21,22,23)/t12-,18+/m1/s1
InChIKeyJCAJLLRXZBPNQN-XIKOKIGWSA-N
XLogP1.84
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120941445
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]morpholine-3-carboxamide;dihydrochloride
CID 119881889
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-(methylamino)propanamide
CID 167960960
1-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 154746744
(2R,3S)-2-methyl-N-pyridin-2-ylmorpholine-3-carboxamide;dihydrochloride
CID 120937700
(2R,3S)-2-methyl-N-quinolin-2-ylmorpholine-3-carboxamide;dihydrochloride
CID 120937933
(2S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 99805629
(2S)-2-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3,3-dimethylbutanamide
CID 119881910
(2R,3S)-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylmorpholine-3-carboxamide
CID 120920403
N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119881915
methyl (3S)-3-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 99805623
(2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918311

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide (CID 120941450) is (2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1.
What is the InChIKey of (2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is JCAJLLRXZBPNQN-XIKOKIGWSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12-18(20-7-8-24-12)19(23)22-17-4-2-3-14(21-17)13-5-6-15-16(11-13)26-10-9-25-15/h2-6,11-12,18,20H,7-10H2,1H3,(H,21,22,23)/t12-,18+/m1/s1.
What are the key properties of (2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120941450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).