1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide

C16H25N3O — CID 122561755

IUPAC1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide
SMILESCN(C)C1(CNC(=O)c2cccn2C2CC2)CCCC1
InChIInChI=1S/C16H25N3O/c1-18(2)16(9-3-4-10-16)12-17-15(20)14-6-5-11-19(14)13-7-8-13/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,17,20)
InChIKeyVTVIBQIGZLZZAN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.43
Rot. Bonds5

About 1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide

1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide (PubChem CID 122561755) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide
PubChem CID122561755
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide
SMILESCN(C)C1(CNC(=O)c2cccn2C2CC2)CCCC1
InChIInChI=1S/C16H25N3O/c1-18(2)16(9-3-4-10-16)12-17-15(20)14-6-5-11-19(14)13-7-8-13/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,17,20)
InChIKeyVTVIBQIGZLZZAN-UHFFFAOYSA-N
XLogP2.43
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyrrole-2-carboxamide
CID 114609745
1-cyclobutyl-N-[(1-hydroxycyclohexyl)methyl]pyrrole-2-carboxamide
CID 114609636
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
N-(2-amino-2-methylpropyl)-1-cyclopropylpyrrole-2-carboxamide
CID 115303317
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 62541280
2-[(1-cyclopropylpyrrole-2-carbonyl)-methylamino]acetic acid
CID 43639286
N-[1-(aminomethyl)cyclopentyl]-1-cyclobutylpyrrole-2-carboxamide
CID 114610311
N-[(2,2-dimethylcyclopropyl)methyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 103811345
1-cyclopropyl-N-methoxypyrrole-2-carboxamide
CID 130688562
1-cyclopropyl-N-(2-hydroxyethyl)-N-methylpyrrole-2-carboxamide
CID 60962060

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide (CID 122561755) is 1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide is CN(C)C1(CNC(=O)c2cccn2C2CC2)CCCC1.
What is the InChIKey of 1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide?
The InChIKey is VTVIBQIGZLZZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(2)16(9-3-4-10-16)12-17-15(20)14-6-5-11-19(14)13-7-8-13/h5-6,11,13H,3-4,7-10,12H2,1-2H3,(H,17,20).
What are the key properties of 1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide?
1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 122561755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).