4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide

C13H20N4O — CID 54949762

IUPAC4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc(N)cn2C2CC2)C1
InChIInChI=1S/C13H20N4O/c1-16-5-4-10(8-16)15-13(18)12-6-9(14)7-17(12)11-2-3-11/h6-7,10-11H,2-5,8,14H2,1H3,(H,15,18)
InChIKeyXQZFYYCFHXXXKT-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.84
Rot. Bonds3

About 4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide (PubChem CID 54949762) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
PubChem CID54949762
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
SMILESCN1CCC(NC(=O)c2cc(N)cn2C2CC2)C1
InChIInChI=1S/C13H20N4O/c1-16-5-4-10(8-16)15-13(18)12-6-9(14)7-17(12)11-2-3-11/h6-7,10-11H,2-5,8,14H2,1H3,(H,15,18)
InChIKeyXQZFYYCFHXXXKT-UHFFFAOYSA-N
XLogP0.84
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-methyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 61461789
4-amino-1-cyclopropyl-N-(1-ethylpiperidin-4-yl)pyrrole-2-carboxamide
CID 61139290
4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 43643546
4-amino-1-cyclopropyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pyrrole-2-carboxamide
CID 106249461
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CID 107211253
4-amino-1-cyclopropyl-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide
CID 63661508
4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
CID 83176737
4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43643307
2,4-diamino-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949912
4-amino-N-(3-amino-3-oxopropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643776
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
CID 113493826

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide (CID 54949762) is 4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide is CN1CCC(NC(=O)c2cc(N)cn2C2CC2)C1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide?
The InChIKey is XQZFYYCFHXXXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-16-5-4-10(8-16)15-13(18)12-6-9(14)7-17(12)11-2-3-11/h6-7,10-11H,2-5,8,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.84, 3 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-methylpyrrolidin-3-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 54949762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).