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

C21H30N4O2 — CID 86983302

IUPAC2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)N2CCOCC2)c(C)n1Cc1ccccn1
InChIInChI=1S/C21H30N4O2/c1-16-13-19(17(2)25(16)14-18-7-5-6-8-22-18)20(26)23-15-21(3,4)24-9-11-27-12-10-24/h5-8,13H,9-12,14-15H2,1-4H3,(H,23,26)
InChIKeyWBANKRPKECWCGD-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.39
Rot. Bonds6

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

2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (PubChem CID 86983302) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
PubChem CID86983302
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCC(C)(C)N2CCOCC2)c(C)n1Cc1ccccn1
InChIInChI=1S/C21H30N4O2/c1-16-13-19(17(2)25(16)14-18-7-5-6-8-22-18)20(26)23-15-21(3,4)24-9-11-27-12-10-24/h5-8,13H,9-12,14-15H2,1-4H3,(H,23,26)
InChIKeyWBANKRPKECWCGD-UHFFFAOYSA-N
XLogP2.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-(2-morpholin-4-ylphenyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78863745
2,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86820807
2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 55348072
N-(2-methyl-2-morpholin-4-ylpropyl)quinoline-8-carboxamide
CID 17459698
N-[(4-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39878072
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 119996967
N-[(3-chlorophenyl)methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 86983262
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 78871414
N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide;dihydrochloride
CID 119574320
2-[[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]amino]propanoic acid
CID 119348636
[4-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]piperazin-1-yl]-phenylmethanone
CID 39915731
2,5-dimethyl-N-(4-methylcyclohexyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 39907744

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide (CID 86983302) is 2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)NCC(C)(C)N2CCOCC2)c(C)n1Cc1ccccn1.
What is the InChIKey of 2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
The InChIKey is WBANKRPKECWCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16-13-19(17(2)25(16)14-18-7-5-6-8-22-18)20(26)23-15-21(3,4)24-9-11-27-12-10-24/h5-8,13H,9-12,14-15H2,1-4H3,(H,23,26).
What are the key properties of 2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide?
2,5-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.39, 6 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-methyl-2-morpholin-4-ylpropyl)-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 86983302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).