(2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide

C20H21N5O3 — CID 156585560

IUPAC(2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESCn1c(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)nc2ccccc21
InChIInChI=1S/C20H21N5O3/c1-25-15-7-3-2-6-14(15)23-16(25)8-10-22-20(27)19-18(24-17(26)12-28-19)13-5-4-9-21-11-13/h2-7,9,11,18-19H,8,10,12H2,1H3,(H,22,27)(H,24,26)/t18-,19+/m1/s1
InChIKeyNQACOBVOHMKCTH-MOPGFXCFSA-N
MW379.42 g/mol
LogP0.88
Rot. Bonds5

About (2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide

(2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide (PubChem CID 156585560) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is (2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
PubChem CID156585560
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name(2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
SMILESCn1c(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)nc2ccccc21
InChIInChI=1S/C20H21N5O3/c1-25-15-7-3-2-6-14(15)23-16(25)8-10-22-20(27)19-18(24-17(26)12-28-19)13-5-4-9-21-11-13/h2-7,9,11,18-19H,8,10,12H2,1H3,(H,22,27)(H,24,26)/t18-,19+/m1/s1
InChIKeyNQACOBVOHMKCTH-MOPGFXCFSA-N
XLogP0.88
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The IUPAC name of (2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide (CID 156585560) is (2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide is Cn1c(CCNC(=O)[C@H]2OCC(=O)N[C@@H]2c2cccnc2)nc2ccccc21.
What is the InChIKey of (2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
The InChIKey is NQACOBVOHMKCTH-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-25-15-7-3-2-6-14(15)23-16(25)8-10-22-20(27)19-18(24-17(26)12-28-19)13-5-4-9-21-11-13/h2-7,9,11,18-19H,8,10,12H2,1H3,(H,22,27)(H,24,26)/t18-,19+/m1/s1.
What are the key properties of (2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide?
(2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide is sourced from PubChem (CID 156585560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).