N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide

C25H22N4O2 — CID 159970460

IUPACN-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide
SMILESO=C(Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1)C1=CC=NC1
InChIInChI=1S/C25H22N4O2/c30-21-8-4-7-20-23(21)19(13-16-5-2-1-3-6-16)24(28-20)17-10-12-27-22(14-17)29-25(31)18-9-11-26-15-18/h1-3,5-6,9-12,14,28H,4,7-8,13,15H2,(H,27,29,31)
InChIKeyOEMBMDXWLPDWAV-UHFFFAOYSA-N
MW410.48 g/mol
LogP4.14
Rot. Bonds5

About N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide

N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide (PubChem CID 159970460) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide
PubChem CID159970460
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide
SMILESO=C(Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1)C1=CC=NC1
InChIInChI=1S/C25H22N4O2/c30-21-8-4-7-20-23(21)19(13-16-5-2-1-3-6-16)24(28-20)17-10-12-27-22(14-17)29-25(31)18-9-11-26-15-18/h1-3,5-6,9-12,14,28H,4,7-8,13,15H2,(H,27,29,31)
InChIKeyOEMBMDXWLPDWAV-UHFFFAOYSA-N
XLogP4.14
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-triazole-4-carboxamide
CID 158370591
1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopropylurea
CID 149198875
1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-pyridin-4-ylurea
CID 157400264
1-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-3-cyclopentylthiourea
CID 160873071
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(furan-2-ylmethoxy)acetamide
CID 162012236
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-(2-methylpyrazol-3-yl)acetamide
CID 161137170
N-[4-(3-benzyl-6-formyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]acetamide
CID 159115979
N-[4-[3-benzyl-6-(dimethylsulfamoyl)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 161145489
N-[4-(3-anilino-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]but-3-ynamide
CID 118606713
cis-(1S,2S)-N-[4-[3-benzyl-6-(cyclopropanecarbonyl)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]-2-fluorocyclopropane-1-carboxamide
CID 159746949
1-benzyl-N-[4-(3-benzyl-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl)-2-pyridinyl]pyrazole-4-carboxamide
CID 149463304
N-[4-[(4aR,5aR)-3-benzyl-4-oxo-4a,5,5a,6-tetrahydro-1H-cyclopropa[f]indol-2-yl]-2-pyridinyl]acetamide
CID 148512859

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide?
The IUPAC name of N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide (CID 159970460) is N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide?
The canonical SMILES for N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide is O=C(Nc1cc(-c2[nH]c3c(c2Cc2ccccc2)C(=O)CCC3)ccn1)C1=CC=NC1.
What is the InChIKey of N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide?
The InChIKey is OEMBMDXWLPDWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-21-8-4-7-20-23(21)19(13-16-5-2-1-3-6-16)24(28-20)17-10-12-27-22(14-17)29-25(31)18-9-11-26-15-18/h1-3,5-6,9-12,14,28H,4,7-8,13,15H2,(H,27,29,31).
What are the key properties of N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide?
N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-benzyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2H-pyrrole-3-carboxamide is sourced from PubChem (CID 159970460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).