(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

C20H23N5O2 — CID 97125327

IUPAC(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)[C@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C20H23N5O2/c26-20(22-9-7-18-23-16-5-1-2-6-17(16)24-18)19(15-4-3-8-21-14-15)25-10-12-27-13-11-25/h1-6,8,14,19H,7,9-13H2,(H,22,26)(H,23,24)/t19-/m0/s1
InChIKeyAJORIAVLFBOMLA-IBGZPJMESA-N
MW365.44 g/mol
LogP1.69
Rot. Bonds6

About (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide

(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (PubChem CID 97125327) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
PubChem CID97125327
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)[C@H](c1cccnc1)N1CCOCC1
InChIInChI=1S/C20H23N5O2/c26-20(22-9-7-18-23-16-5-1-2-6-17(16)24-18)19(15-4-3-8-21-14-15)25-10-12-27-13-11-25/h1-6,8,14,19H,7,9-13H2,(H,22,26)(H,23,24)/t19-/m0/s1
InChIKeyAJORIAVLFBOMLA-IBGZPJMESA-N
XLogP1.69
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-imidazo[1,2-a]pyridin-2-ylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 118795714
(2S)-N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-pyridin-3-yl-2-pyrrolidin-1-ylacetamide
CID 136861472
(2S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97268430
N-[2-(dimethylsulfamoyl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 74234487
N-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72883606
N-[2-[(2-methylphenyl)methylsulfanyl]ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72920922
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 31615402
(2R)-N-(2-cyclohexylsulfanylethyl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 97188095
2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120797230
N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide
CID 72855093

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The IUPAC name of (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide (CID 97125327) is (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is O=C(NCCc1nc2ccccc2[nH]1)[C@H](c1cccnc1)N1CCOCC1.
What is the InChIKey of (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The InChIKey is AJORIAVLFBOMLA-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N5O2/c26-20(22-9-7-18-23-16-5-1-2-6-17(16)24-18)19(15-4-3-8-21-14-15)25-10-12-27-13-11-25/h1-6,8,14,19H,7,9-13H2,(H,22,26)(H,23,24)/t19-/m0/s1.
What are the key properties of (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide has a molecular weight of 365.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-morpholin-4-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 97125327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).