4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide

C14H21N3O2 — CID 43643692

IUPAC4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C1CC1)C1CCCO1
InChIInChI=1S/C14H21N3O2/c1-9(13-3-2-6-19-13)16-14(18)12-7-10(15)8-17(12)11-4-5-11/h7-9,11,13H,2-6,15H2,1H3,(H,16,18)
InChIKeyLMXCNWGYVPMSGU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.70
Rot. Bonds4

About 4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide (PubChem CID 43643692) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide
PubChem CID43643692
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(N)cn1C1CC1)C1CCCO1
InChIInChI=1S/C14H21N3O2/c1-9(13-3-2-6-19-13)16-14(18)12-7-10(15)8-17(12)11-4-5-11/h7-9,11,13H,2-6,15H2,1H3,(H,16,18)
InChIKeyLMXCNWGYVPMSGU-UHFFFAOYSA-N
XLogP1.70
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43643307
4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
CID 83176737
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
4-amino-1-cyclopropyl-N-(3-ethylpentan-2-yl)pyrrole-2-carboxamide
CID 63842385
2-ethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390415
2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390417
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
1,5-dimethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 35246071
3-amino-N-[1-(oxolan-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64523047
4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 61118471
4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 61193655

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide (CID 43643692) is 4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide is CC(NC(=O)c1cc(N)cn1C1CC1)C1CCCO1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide?
The InChIKey is LMXCNWGYVPMSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-9(13-3-2-6-19-13)16-14(18)12-7-10(15)8-17(12)11-4-5-11/h7-9,11,13H,2-6,15H2,1H3,(H,16,18).
What are the key properties of 4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 43643692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).