4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide

C19H22N4O2 — CID 29341374

IUPAC4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCn1cccc1[C@@H](CNC(=O)c1ccc(C#N)cc1)N1CCOCC1
InChIInChI=1S/C19H22N4O2/c1-22-8-2-3-17(22)18(23-9-11-25-12-10-23)14-21-19(24)16-6-4-15(13-20)5-7-16/h2-8,18H,9-12,14H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyDSYAMPVBZIUMLJ-GOSISDBHSA-N
MW338.41 g/mol
LogP1.70
Rot. Bonds5

About 4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide

4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 29341374) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide
PubChem CID29341374
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide
SMILESCn1cccc1[C@@H](CNC(=O)c1ccc(C#N)cc1)N1CCOCC1
InChIInChI=1S/C19H22N4O2/c1-22-8-2-3-17(22)18(23-9-11-25-12-10-23)14-21-19(24)16-6-4-15(13-20)5-7-16/h2-8,18H,9-12,14H2,1H3,(H,21,24)/t18-/m1/s1
InChIKeyDSYAMPVBZIUMLJ-GOSISDBHSA-N
XLogP1.70
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyano-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 17405365
2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 29341437
N-[(2S)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-4-ethylbenzamide
CID 42218388
N-[(2R)-2-(1-methylpyrrol-2-yl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 42217496
3-cyano-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]benzamide
CID 30335288
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
CID 24643832
2-(2-methoxyphenoxy)-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 29341504
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343916
N'-[(2R)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 29343975
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 90496287
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343723

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide (CID 29341374) is 4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide is Cn1cccc1[C@@H](CNC(=O)c1ccc(C#N)cc1)N1CCOCC1.
What is the InChIKey of 4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is DSYAMPVBZIUMLJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-8-2-3-17(22)18(23-9-11-25-12-10-23)14-21-19(24)16-6-4-15(13-20)5-7-16/h2-8,18H,9-12,14H2,1H3,(H,21,24)/t18-/m1/s1.
What are the key properties of 4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide?
4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 338.41 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 29341374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).