1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide

C13H19N3O — CID 80564395

IUPAC1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCC1CCNC1)c1cccn1C1CC1
InChIInChI=1S/C13H19N3O/c17-13(15-9-10-5-6-14-8-10)12-2-1-7-16(12)11-3-4-11/h1-2,7,10-11,14H,3-6,8-9H2,(H,15,17)
InChIKeyHYYSCUVJSIETND-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.16
Rot. Bonds4

About 1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide

1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 80564395) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID80564395
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
SMILESO=C(NCC1CCNC1)c1cccn1C1CC1
InChIInChI=1S/C13H19N3O/c17-13(15-9-10-5-6-14-8-10)12-2-1-7-16(12)11-3-4-11/h1-2,7,10-11,14H,3-6,8-9H2,(H,15,17)
InChIKeyHYYSCUVJSIETND-UHFFFAOYSA-N
XLogP1.16
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-(2-pyrrolidin-3-ylethyl)pyrrole-2-carboxamide
CID 114610271
N-(pyrrolidin-3-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrrole-2-carboxamide
CID 114610544
1-benzyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide
CID 80563001
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 62541280
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
N-(oxolan-2-ylmethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716770
N-(2-chloroprop-2-enyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 115739736
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
1-cyclopropyl-N-(morpholin-3-ylmethyl)pyrrole-2-carboxamide
CID 103548345
N-(furan-2-ylmethyl)-1-piperidin-4-ylpyrrole-2-carboxamide
CID 62716089

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide (CID 80564395) is 1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide is O=C(NCC1CCNC1)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is HYYSCUVJSIETND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c17-13(15-9-10-5-6-14-8-10)12-2-1-7-16(12)11-3-4-11/h1-2,7,10-11,14H,3-6,8-9H2,(H,15,17).
What are the key properties of 1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide?
1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(pyrrolidin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 80564395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).