N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine

C18H19Cl2N3 — CID 146288432

IUPACN-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCCC(C)Cn1ccc2c(Nc3c(Cl)cccc3Cl)nccc21
InChIInChI=1S/C18H19Cl2N3/c1-3-12(2)11-23-10-8-13-16(23)7-9-21-18(13)22-17-14(19)5-4-6-15(17)20/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChIKeyNOONGGGKCVBIFW-UHFFFAOYSA-N
MW348.28 g/mol
LogP6.13
Rot. Bonds5

About N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine

N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 146288432) has the molecular formula C18H19Cl2N3 and a molecular weight of 348.28 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
PubChem CID146288432
Molecular FormulaC18H19Cl2N3
Molecular Weight348.28 g/mol
Exact Mass347.10
IUPAC NameN-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCCC(C)Cn1ccc2c(Nc3c(Cl)cccc3Cl)nccc21
InChIInChI=1S/C18H19Cl2N3/c1-3-12(2)11-23-10-8-13-16(23)7-9-21-18(13)22-17-14(19)5-4-6-15(17)20/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChIKeyNOONGGGKCVBIFW-UHFFFAOYSA-N
XLogP6.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.28
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethyl-3-pyridinyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288653
N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162464315
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol
CID 146288476
3-chloro-4-[[1-[(2R)-2-hydroxybutyl]pyrrolo[3,2-c]pyridin-4-yl]amino]-5-methylbenzonitrile;3-chloro-4-[[1-[(2S)-2-hydroxybutyl]pyrrolo[3,2-c]pyridin-4-yl]amino]-5-methylbenzonitrile;methane
CID 158948723
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;(2S)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;methane
CID 158234871
4-ethoxy-1-(2-methylbutyl)indole
CID 83173509
N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine
CID 146288302
1-(2-methylbutyl)indole-4-carbonitrile
CID 107919093
N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane
CID 153376876
1-(2-methylbutyl)indole-4-carboxylic acid
CID 62105505
N-(3-chloro-5-methyl-4-pyridinyl)-1-(oxetan-3-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288454
cobalt;[1-hydroxy-2-[4-[[2-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]ethyl]-methylazanide
CID 153376810

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine (CID 146288432) is N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine is CCC(C)Cn1ccc2c(Nc3c(Cl)cccc3Cl)nccc21.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is NOONGGGKCVBIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N3/c1-3-12(2)11-23-10-8-13-16(23)7-9-21-18(13)22-17-14(19)5-4-6-15(17)20/h4-10,12H,3,11H2,1-2H3,(H,21,22).
What are the key properties of N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine?
N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 348.28 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 146288432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).