4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide

C12H20N4O — CID 63206983

IUPAC4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C12H20N4O/c1-15(6-7-16-4-2-3-5-16)12(17)11-8-10(13)9-14-11/h8-9,14H,2-7,13H2,1H3
InChIKeyPDBOKZFMZFDFCK-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.76
Rot. Bonds4

About 4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide

4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide (PubChem CID 63206983) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide
PubChem CID63206983
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide
SMILESCN(CCN1CCCC1)C(=O)c1cc(N)c[nH]1
InChIInChI=1S/C12H20N4O/c1-15(6-7-16-4-2-3-5-16)12(17)11-8-10(13)9-14-11/h8-9,14H,2-7,13H2,1H3
InChIKeyPDBOKZFMZFDFCK-UHFFFAOYSA-N
XLogP0.76
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 63693899
4-amino-N-(2-piperidin-1-ylethyl)-1H-pyrrole-2-carboxamide
CID 54967566
4-amino-N-(3-methoxypropyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 62984456
4-amino-3,5-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 82833511
(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 43642134
5-amino-2,4-difluoro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63207024
4-amino-N-methyl-N-(2-phenoxyethyl)-1H-pyrrole-2-carboxamide
CID 61114831
4-amino-N-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 61114401
2-amino-N,3-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 63206760
2-amino-N,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 55161858
4-amino-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61109567
4-amino-N-[(3,5-dichlorophenyl)methyl]-N-methyl-1H-pyrrole-2-carboxamide
CID 61107986

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide (CID 63206983) is 4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide is CN(CCN1CCCC1)C(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is PDBOKZFMZFDFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-15(6-7-16-4-2-3-5-16)12(17)11-8-10(13)9-14-11/h8-9,14H,2-7,13H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide?
4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 63206983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).