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

C12H19N3O2 — CID 103548575

IUPAC1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCC2COCCN2)n1C
InChIInChI=1S/C12H19N3O2/c1-9-3-4-11(15(9)2)12(16)14-7-10-8-17-6-5-13-10/h3-4,10,13H,5-8H2,1-2H3,(H,14,16)
InChIKeyQNLQTLBYOPSABB-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.05
Rot. Bonds3

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

1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 103548575) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID103548575
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCC2COCCN2)n1C
InChIInChI=1S/C12H19N3O2/c1-9-3-4-11(15(9)2)12(16)14-7-10-8-17-6-5-13-10/h3-4,10,13H,5-8H2,1-2H3,(H,14,16)
InChIKeyQNLQTLBYOPSABB-UHFFFAOYSA-N
XLogP0.05
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548729
1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
CID 103548345
N-(morpholin-3-ylmethyl)furan-3-carboxamide
CID 103548513
2-methyl-N-(morpholin-3-ylmethyl)pyridine-3-carboxamide
CID 103548430
4-bromo-3-methyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548613
5-bromo-N-(morpholin-3-ylmethyl)furan-2-carboxamide
CID 103548570
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624
5-methyl-N-(morpholin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 103548403
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
2-chloro-5-methylsulfanyl-N-(morpholin-3-ylmethyl)benzamide
CID 103548347
5-methyl-N-(morpholin-3-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 103548596
4-bromo-2-fluoro-N-(morpholin-3-ylmethyl)benzamide
CID 103548342

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide (CID 103548575) is 1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide is Cc1ccc(C(=O)NCC2COCCN2)n1C.
What is the InChIKey of 1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is QNLQTLBYOPSABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-9-3-4-11(15(9)2)12(16)14-7-10-8-17-6-5-13-10/h3-4,10,13H,5-8H2,1-2H3,(H,14,16).
What are the key properties of 1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide?
1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 103548575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).