N-morpholin-4-yl-1H-pyrrole-3-carboxamide

C9H13N3O2 — CID 141172610

IUPACN-morpholin-4-yl-1H-pyrrole-3-carboxamide
SMILESO=C(NN1CCOCC1)c1cc[nH]c1
InChIInChI=1S/C9H13N3O2/c13-9(8-1-2-10-7-8)11-12-3-5-14-6-4-12/h1-2,7,10H,3-6H2,(H,11,13)
InChIKeyXVOBSAYRKDIEML-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.01
Rot. Bonds2

About N-morpholin-4-yl-1H-pyrrole-3-carboxamide

N-morpholin-4-yl-1H-pyrrole-3-carboxamide (PubChem CID 141172610) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is N-morpholin-4-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-morpholin-4-yl-1H-pyrrole-3-carboxamide
PubChem CID141172610
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC NameN-morpholin-4-yl-1H-pyrrole-3-carboxamide
SMILESO=C(NN1CCOCC1)c1cc[nH]c1
InChIInChI=1S/C9H13N3O2/c13-9(8-1-2-10-7-8)11-12-3-5-14-6-4-12/h1-2,7,10H,3-6H2,(H,11,13)
InChIKeyXVOBSAYRKDIEML-UHFFFAOYSA-N
XLogP-0.01
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-morpholin-4-yl-2-oxo-1H-pyridine-4-carboxamide
CID 103799894
4-hydrazinyl-N-morpholin-4-ylbenzamide
CID 83025076
4-(morpholin-4-ylcarbamoyl)pyridine-2-carboxylic acid
CID 113385057
N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-1H-pyrrole-3-carboxamide
CID 141060612
N-morpholin-4-yl-3-nitrobenzamide
CID 871425
2-amino-N-morpholin-4-ylpyridine-4-carboxamide
CID 83025354
2-(morpholin-4-ylcarbamoyl)benzoic acid
CID 83004357
2-fluoro-N-morpholin-4-ylpyridine-4-carboxamide
CID 78965765
N-morpholin-4-yl-1H-indazole-6-carboxamide
CID 78974867
N-morpholin-4-yl-1H-indole-2-carboxamide
CID 78908081
4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzamide
CID 83022705
3-amino-5-chloro-N-morpholin-4-ylbenzamide
CID 83013444

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-morpholin-4-yl-1H-pyrrole-3-carboxamide (CID 141172610) is N-morpholin-4-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-morpholin-4-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-morpholin-4-yl-1H-pyrrole-3-carboxamide is O=C(NN1CCOCC1)c1cc[nH]c1.
What is the InChIKey of N-morpholin-4-yl-1H-pyrrole-3-carboxamide?
The InChIKey is XVOBSAYRKDIEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-9(8-1-2-10-7-8)11-12-3-5-14-6-4-12/h1-2,7,10H,3-6H2,(H,11,13).
What are the key properties of N-morpholin-4-yl-1H-pyrrole-3-carboxamide?
N-morpholin-4-yl-1H-pyrrole-3-carboxamide has a molecular weight of 195.22 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 141172610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).