3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide

C20H26N4O2 — CID 3520568

IUPAC3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESC=CCn1c(C)c(N2CCOCC2)c(C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C20H26N4O2/c1-4-9-24-16(3)18(23-10-12-26-13-11-23)15(2)19(24)20(25)22-14-17-7-5-6-8-21-17/h4-8H,1,9-14H2,2-3H3,(H,22,25)
InChIKeyPVDOBPKPRLZFLT-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.45
Rot. Bonds6

About 3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide

3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 3520568) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID3520568
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
SMILESC=CCn1c(C)c(N2CCOCC2)c(C)c1C(=O)NCc1ccccn1
InChIInChI=1S/C20H26N4O2/c1-4-9-24-16(3)18(23-10-12-26-13-11-23)15(2)19(24)20(25)22-14-17-7-5-6-8-21-17/h4-8H,1,9-14H2,2-3H3,(H,22,25)
InChIKeyPVDOBPKPRLZFLT-UHFFFAOYSA-N
XLogP2.45
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731265
1-[(2,6-difluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-ylpyrrole-2-carboxamide
CID 42792470
1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 42792459
3,4,5-trimethyl-1-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
CID 42810255
3,5-dimethyl-4-morpholin-4-yl-N-(pyridin-4-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 42789806
2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-(pyridin-2-ylmethyl)propanamide
CID 108959830
2-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999300
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
ethyl 1-ethyl-3,5-dimethyl-4-(pyridin-2-ylmethylcarbamoyl)pyrrole-2-carboxylate
CID 3243321
6-methyl-4-oxo-3-prop-2-enyl-N-(pyridin-2-ylmethyl)furo[2,3-d]pyrimidine-5-carboxamide
CID 91950156
4-methyl-2-morpholin-4-yl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 154570012
3-(2-morpholin-4-ylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023269

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide (CID 3520568) is 3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is C=CCn1c(C)c(N2CCOCC2)c(C)c1C(=O)NCc1ccccn1.
What is the InChIKey of 3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is PVDOBPKPRLZFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-9-24-16(3)18(23-10-12-26-13-11-23)15(2)19(24)20(25)22-14-17-7-5-6-8-21-17/h4-8H,1,9-14H2,2-3H3,(H,22,25).
What are the key properties of 3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide?
3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-morpholin-4-yl-1-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 3520568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).