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

C23H26N4O2 — CID 78863745

IUPAC2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N2CCOCC2)c(C)n1Cc1ccccn1
InChIInChI=1S/C23H26N4O2/c1-17-15-20(18(2)27(17)16-19-7-5-6-10-24-19)23(28)25-21-8-3-4-9-22(21)26-11-13-29-14-12-26/h3-10,15H,11-14,16H2,1-2H3,(H,25,28)
InChIKeyVTSOBABSIWAJNW-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.64
Rot. Bonds5

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

2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 78863745) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID78863745
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2N2CCOCC2)c(C)n1Cc1ccccn1
InChIInChI=1S/C23H26N4O2/c1-17-15-20(18(2)27(17)16-19-7-5-6-10-24-19)23(28)25-21-8-3-4-9-22(21)26-11-13-29-14-12-26/h3-10,15H,11-14,16H2,1-2H3,(H,25,28)
InChIKeyVTSOBABSIWAJNW-UHFFFAOYSA-N
XLogP3.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86983302
2-amino-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110862415
2-(dimethylamino)-N-(2-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 110299292
N-(4-ethoxyphenyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39887261
2,5-dimethyl-N-(4-methylcyclohexyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39907744
1-benzyl-2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)pyrrole-3-carboxamide
CID 30771595
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78858550
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
2,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86820807
[4-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]piperazin-1-yl]-phenylmethanone
CID 39915731
N-[(4-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39878072
N-[3-(diethylaminomethyl)phenyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78865014

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 78863745) is 2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccccc2N2CCOCC2)c(C)n1Cc1ccccn1.
What is the InChIKey of 2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is VTSOBABSIWAJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-15-20(18(2)27(17)16-19-7-5-6-10-24-19)23(28)25-21-8-3-4-9-22(21)26-11-13-29-14-12-26/h3-10,15H,11-14,16H2,1-2H3,(H,25,28).
What are the key properties of 2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 78863745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).