(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

C20H23N3O4 — CID 97268430

IUPAC(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)[C@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C20H23N3O4/c24-20(22-7-5-15-3-4-17-18(12-15)27-14-26-17)19(16-2-1-6-21-13-16)23-8-10-25-11-9-23/h1-4,6,12-13,19H,5,7-11,14H2,(H,22,24)/t19-/m0/s1
InChIKeyMQOHPRCBTBCSFR-IBGZPJMESA-N
MW369.42 g/mol
LogP1.54
Rot. Bonds6

About (2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (PubChem CID 97268430) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
PubChem CID97268430
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESO=C(NCCc1ccc2c(c1)OCO2)[C@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C20H23N3O4/c24-20(22-7-5-15-3-4-17-18(12-15)27-14-26-17)19(16-2-1-6-21-13-16)23-8-10-25-11-9-23/h1-4,6,12-13,19H,5,7-11,14H2,(H,22,24)/t19-/m0/s1
InChIKeyMQOHPRCBTBCSFR-IBGZPJMESA-N
XLogP1.54
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[2-(2-fluorophenyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97192696
N-[2-(5-methylfuran-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72889150
N-[2-(dimethylsulfamoyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 74234487
4-[2-[(2-pyridin-3-yl-2-pyrrolidin-1-ylacetyl)amino]ethyl]benzoic acid
CID 72885948
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97125327
N-[2-(1,3-benzodioxol-5-yl)ethyl]morpholine-4-carboxamide
CID 34673472
N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72920922
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 118795714
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylpiperazin-1-yl)-2-pyridin-3-ylacetamide
CID 177383040
(2S)-N-[(2,4-difluorophenyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97131048
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 56705378

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The IUPAC name of (2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (CID 97268430) is (2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for (2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for (2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is O=C(NCCc1ccc2c(c1)OCO2)[C@H](c1cccnc1)N1CCOCC1.
What is the InChIKey of (2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The InChIKey is MQOHPRCBTBCSFR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N3O4/c24-20(22-7-5-15-3-4-17-18(12-15)27-14-26-17)19(16-2-1-6-21-13-16)23-8-10-25-11-9-23/h1-4,6,12-13,19H,5,7-11,14H2,(H,22,24)/t19-/m0/s1.
What are the key properties of (2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide has a molecular weight of 369.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 97268430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).