3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide

C22H26N4O — CID 42748856

IUPAC3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
SMILESN#Cc1ccn(-c2ccc3c(c2)CCC3)c1C(=O)NCCN1CCCCC1
InChIInChI=1S/C22H26N4O/c23-16-19-9-13-26(20-8-7-17-5-4-6-18(17)15-20)21(19)22(27)24-10-14-25-11-2-1-3-12-25/h7-9,13,15H,1-6,10-12,14H2,(H,24,27)
InChIKeyVRXYPTRNMDJLNE-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.05
Rot. Bonds5

About 3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide

3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide (PubChem CID 42748856) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
PubChem CID42748856
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
SMILESN#Cc1ccn(-c2ccc3c(c2)CCC3)c1C(=O)NCCN1CCCCC1
InChIInChI=1S/C22H26N4O/c23-16-19-9-13-26(20-8-7-17-5-4-6-18(17)15-20)21(19)22(27)24-10-14-25-11-2-1-3-12-25/h7-9,13,15H,1-6,10-12,14H2,(H,24,27)
InChIKeyVRXYPTRNMDJLNE-UHFFFAOYSA-N
XLogP3.05
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide with MolForge

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Related Compounds

3-cyano-1-(3,4-dimethoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide
CID 42749055
1-(4-tert-butylphenyl)-3-cyano-N-(2-morpholin-4-ylethyl)pyrrole-2-carboxamide
CID 42750960
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
3-cyano-N-[3-(2-methylpiperidin-1-yl)propyl]-1-[3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 3454281
3-cyano-1-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrole-2-carboxamide
CID 24715175
N-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998667
1-(3-bromophenyl)-3-cyano-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 4236090
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
4-cyano-N-(3-piperidin-1-ylpropyl)benzamide
CID 11608750
4-(2-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]pyrrol-1-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 46272473
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-cyano-N-cyclopropyl-1-(3-methylphenyl)pyrrole-2-carboxamide
CID 42748352

Frequently Asked Questions

What is the IUPAC name of 3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide (CID 42748856) is 3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide is N#Cc1ccn(-c2ccc3c(c2)CCC3)c1C(=O)NCCN1CCCCC1.
What is the InChIKey of 3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide?
The InChIKey is VRXYPTRNMDJLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c23-16-19-9-13-26(20-8-7-17-5-4-6-18(17)15-20)21(19)22(27)24-10-14-25-11-2-1-3-12-25/h7-9,13,15H,1-6,10-12,14H2,(H,24,27).
What are the key properties of 3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide?
3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-(2,3-dihydro-1H-inden-5-yl)-N-(2-piperidin-1-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 42748856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).