3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one

C25H20N4O2 — CID 159896683

IUPAC3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
SMILESO=C1CN(C(=O)c2cccnc2)Cc2[nH]c(-c3ccncc3)c(Cc3ccccc3)c21
InChIInChI=1S/C25H20N4O2/c30-22-16-29(25(31)19-7-4-10-27-14-19)15-21-23(22)20(13-17-5-2-1-3-6-17)24(28-21)18-8-11-26-12-9-18/h1-12,14,28H,13,15-16H2
InChIKeyNVKVTDFAJNIEFV-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.90
Rot. Bonds4

About 3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one

3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one (PubChem CID 159896683) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is 3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
PubChem CID159896683
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
SMILESO=C1CN(C(=O)c2cccnc2)Cc2[nH]c(-c3ccncc3)c(Cc3ccccc3)c21
InChIInChI=1S/C25H20N4O2/c30-22-16-29(25(31)19-7-4-10-27-14-19)15-21-23(22)20(13-17-5-2-1-3-6-17)24(28-21)18-8-11-26-12-9-18/h1-12,14,28H,13,15-16H2
InChIKeyNVKVTDFAJNIEFV-UHFFFAOYSA-N
XLogP3.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-6-(ethylsulfonylmethyl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 162176722
3-benzyl-4-oxo-N,N-di(propan-2-yl)-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxamide
CID 152782851
3-benzyl-2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-6-(4-methylpiperazine-1-carbonyl)-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one
CID 158794747
N-[4-[3-benzyl-6-(dimethylsulfamoyl)-4-oxo-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-yl]-2-pyridinyl]acetamide
CID 161145489
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
2-[(6,6-dimethyl-4-oxo-2-pyridin-4-yl-5,7-dihydro-1H-indol-3-yl)methyl]benzamide
CID 148941645
7-(pyridine-3-carbonyl)-3-pyridin-4-yl-1,4,7-triazaspiro[4.4]non-3-en-2-one
CID 134795441
(2S)-1-benzyl-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 125001348
3-benzyl-2-[3-(2-methoxyethoxy)-4-pyridinyl]-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 160571581
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[4-(2-phenylethylsulfonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110364647
[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-pyridin-3-ylmethanone
CID 45195230

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one?
The IUPAC name of 3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one (CID 159896683) is 3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one.
What is the SMILES notation for 3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one?
The canonical SMILES for 3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one is O=C1CN(C(=O)c2cccnc2)Cc2[nH]c(-c3ccncc3)c(Cc3ccccc3)c21.
What is the InChIKey of 3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one?
The InChIKey is NVKVTDFAJNIEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c30-22-16-29(25(31)19-7-4-10-27-14-19)15-21-23(22)20(13-17-5-2-1-3-6-17)24(28-21)18-8-11-26-12-9-18/h1-12,14,28H,13,15-16H2.
What are the key properties of 3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one?
3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one has a molecular weight of 408.46 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(pyridine-3-carbonyl)-2-pyridin-4-yl-5,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-one is sourced from PubChem (CID 159896683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).