4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide

C19H25N3O2 — CID 118654790

IUPAC4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cn(CCCN2CCOCC2)c1-c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-15-17(19(20)23)14-22(18(15)16-6-3-2-4-7-16)9-5-8-21-10-12-24-13-11-21/h2-4,6-7,14H,5,8-13H2,1H3,(H2,20,23)
InChIKeyDFDHBIQSUDODMK-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.28
Rot. Bonds6

About 4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide

4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide (PubChem CID 118654790) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide
PubChem CID118654790
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide
SMILESCc1c(C(N)=O)cn(CCCN2CCOCC2)c1-c1ccccc1
InChIInChI=1S/C19H25N3O2/c1-15-17(19(20)23)14-22(18(15)16-6-3-2-4-7-16)9-5-8-21-10-12-24-13-11-21/h2-4,6-7,14H,5,8-13H2,1H3,(H2,20,23)
InChIKeyDFDHBIQSUDODMK-UHFFFAOYSA-N
XLogP2.28
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carboxylic acid
CID 67255185
5-(3-cyanophenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 5221186
5-butyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-phenylpyrrole-3-carboxamide
CID 3861344
3-[2-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrol-3-yl]-3-oxopropanoic acid
CID 170887151
1-(4-morpholin-4-ylbutoxy)naphthalene-2-carboxamide
CID 153402720
N-(3-morpholin-4-ylpropyl)-1,3-diphenylpyrazole-4-carboxamide;hydrochloride
CID 2827797
5-ethyl-4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)pyrrole-3-carboxamide
CID 3608616
1-(2-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-6-yl)-4-morpholin-4-ylbutan-1-one
CID 146044180
2-morpholin-4-ylethyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 18967
3-methyl-2-(3-morpholin-4-ylpropylamino)benzoic acid
CID 107111875
N-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 67379055
5-ethyl-2-methyl-1-(3-morpholin-4-ylpropyl)-4-pyridin-3-ylpyrrole-3-carboxamide
CID 3836326

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide?
The IUPAC name of 4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide (CID 118654790) is 4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide.
What is the SMILES notation for 4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide?
The canonical SMILES for 4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide is Cc1c(C(N)=O)cn(CCCN2CCOCC2)c1-c1ccccc1.
What is the InChIKey of 4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide?
The InChIKey is DFDHBIQSUDODMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-17(19(20)23)14-22(18(15)16-6-3-2-4-7-16)9-5-8-21-10-12-24-13-11-21/h2-4,6-7,14H,5,8-13H2,1H3,(H2,20,23).
What are the key properties of 4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide?
4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrole-3-carboxamide is sourced from PubChem (CID 118654790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).