3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide

C23H27N5O2 — CID 69273702

IUPAC3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCC1=C(C#N)C(c2cccc(C(=O)NCCCN3CCOCC3)c2)C(C#N)=C(C)N1
InChIInChI=1S/C23H27N5O2/c1-16-20(14-24)22(21(15-25)17(2)27-16)18-5-3-6-19(13-18)23(29)26-7-4-8-28-9-11-30-12-10-28/h3,5-6,13,22,27H,4,7-12H2,1-2H3,(H,26,29)
InChIKeyUTWCGCDYDYFLKA-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.42
Rot. Bonds6

About 3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide

3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 69273702) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID69273702
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide
SMILESCC1=C(C#N)C(c2cccc(C(=O)NCCCN3CCOCC3)c2)C(C#N)=C(C)N1
InChIInChI=1S/C23H27N5O2/c1-16-20(14-24)22(21(15-25)17(2)27-16)18-5-3-6-19(13-18)23(29)26-7-4-8-28-9-11-30-12-10-28/h3,5-6,13,22,27H,4,7-12H2,1-2H3,(H,26,29)
InChIKeyUTWCGCDYDYFLKA-UHFFFAOYSA-N
XLogP2.42
TPSA101.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
methyl 3-(3-morpholin-4-ylpropylcarbamoyl)benzoate
CID 108786662
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(morpholin-4-ylmethyl)benzamide
CID 99957182
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
[(E)-3-phenylprop-2-enyl] 4-(3-chlorophenyl)-2,6-dimethyl-5-(3-morpholin-4-ylpropylcarbamoyl)-1,4-dihydropyridine-3-carboxylate
CID 22949177
N-(3-morpholin-4-ylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2329278
N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
3-methyl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]benzamide
CID 51866491
3-methyl-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892568

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide (CID 69273702) is 3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide is CC1=C(C#N)C(c2cccc(C(=O)NCCCN3CCOCC3)c2)C(C#N)=C(C)N1.
What is the InChIKey of 3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is UTWCGCDYDYFLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-16-20(14-24)22(21(15-25)17(2)27-16)18-5-3-6-19(13-18)23(29)26-7-4-8-28-9-11-30-12-10-28/h3,5-6,13,22,27H,4,7-12H2,1-2H3,(H,26,29).
What are the key properties of 3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide?
3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 405.50 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dicyano-2,6-dimethyl-1,4-dihydropyridin-4-yl)-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 69273702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).