4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide

C12H18N4O3 — CID 170575734

IUPAC4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
SMILESO=CNc1c[nH]c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C12H18N4O3/c17-9-15-10-7-11(14-8-10)12(18)13-1-2-16-3-5-19-6-4-16/h7-9,14H,1-6H2,(H,13,18)(H,15,17)
InChIKeyDDAZRYXLLHLECV-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.35
Rot. Bonds6

About 4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide

4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 170575734) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID170575734
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
SMILESO=CNc1c[nH]c(C(=O)NCCN2CCOCC2)c1
InChIInChI=1S/C12H18N4O3/c17-9-15-10-7-11(14-8-10)12(18)13-1-2-16-3-5-19-6-4-16/h7-9,14H,1-6H2,(H,13,18)(H,15,17)
InChIKeyDDAZRYXLLHLECV-UHFFFAOYSA-N
XLogP-0.35
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-formamido-1-methyl-N-[1-methyl-5-[[1-methyl-5-(2-morpholin-4-ylethylcarbamoyl)pyrrol-3-yl]carbamoyl]pyrrol-3-yl]pyrrole-2-carboxamide
CID 127047136
N-(3-morpholin-4-ylpropyl)-4-propanoyl-1H-pyrrole-2-carboxamide
CID 3732708
5-methoxy-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 125431560
4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 54967566
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
4-amino-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 62156261
[5-hydroxy-2-(2-morpholin-4-ylethylcarbamoyl)-1H-indol-4-yl] formate
CID 174680738
N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 110689462
6-chloro-N-(2-morpholin-4-ylethyl)-1H-indole-3-carboxamide
CID 113206353
N-(2-morpholin-4-ylethyl)-1H-imidazole-5-carboxamide;N-(oxan-4-yl)-1H-imidazole-5-carboxamide
CID 161346981
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 977791

Frequently Asked Questions

What is the IUPAC name of 4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide (CID 170575734) is 4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide is O=CNc1c[nH]c(C(=O)NCCN2CCOCC2)c1.
What is the InChIKey of 4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is DDAZRYXLLHLECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c17-9-15-10-7-11(14-8-10)12(18)13-1-2-16-3-5-19-6-4-16/h7-9,14H,1-6H2,(H,13,18)(H,15,17).
What are the key properties of 4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide?
4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 170575734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).