6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile

C15H15N3 — CID 155155125

IUPAC6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H15N3/c16-8-13-9-17-15-11-18(7-6-14(13)15)10-12-4-2-1-3-5-12/h1-5,9,17H,6-7,10-11H2
InChIKeyHUTFPVHWWAJHQB-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.44
Rot. Bonds2

About 6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile

6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile (PubChem CID 155155125) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile
PubChem CID155155125
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile
SMILESN#Cc1c[nH]c2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H15N3/c16-8-13-9-17-15-11-18(7-6-14(13)15)10-12-4-2-1-3-5-12/h1-5,9,17H,6-7,10-11H2
InChIKeyHUTFPVHWWAJHQB-UHFFFAOYSA-N
XLogP2.44
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dibenzyl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67373232
2-benzyl-6-[(4-chlorophenyl)methyl]-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 67375523
(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)methanamine
CID 82386780
6-benzyl-2,5,7,8-tetrahydro-2,6-naphthyridin-3-one
CID 146160543
6-benzyl-2-ethylsulfanyl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
CID 930508
2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline
CID 90487760
N-(6-benzyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-2-chloropropanamide
CID 71300009
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
3,6-dibenzyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride
CID 19423339
2-benzyl-6,9-dimethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 21231097
2-benzyl-8-fluoro-1,3,4,10-tetrahydrobenzo[b][1,7]naphthyridin-5-one
CID 10495009

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile?
The IUPAC name of 6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile (CID 155155125) is 6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile.
What is the SMILES notation for 6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile?
The canonical SMILES for 6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile is N#Cc1c[nH]c2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile?
The InChIKey is HUTFPVHWWAJHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-8-13-9-17-15-11-18(7-6-14(13)15)10-12-4-2-1-3-5-12/h1-5,9,17H,6-7,10-11H2.
What are the key properties of 6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile?
6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1,4,5,7-tetrahydropyrrolo[2,3-c]pyridine-3-carbonitrile is sourced from PubChem (CID 155155125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).