N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine

C18H21N3 — CID 46879490

IUPACN-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine
SMILESCc1cccc(C)c1CNc1nccc2c(C)c(C)[nH]c12
InChIInChI=1S/C18H21N3/c1-11-6-5-7-12(2)16(11)10-20-18-17-15(8-9-19-18)13(3)14(4)21-17/h5-9,21H,10H2,1-4H3,(H,19,20)
InChIKeyYIIXUMVWJVOYNW-UHFFFAOYSA-N
MW279.39 g/mol
LogP4.41
Rot. Bonds3

About N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine

N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine (PubChem CID 46879490) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine
PubChem CID46879490
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine
SMILESCc1cccc(C)c1CNc1nccc2c(C)c(C)[nH]c12
InChIInChI=1S/C18H21N3/c1-11-6-5-7-12(2)16(11)10-20-18-17-15(8-9-19-18)13(3)14(4)21-17/h5-9,21H,10H2,1-4H3,(H,19,20)
InChIKeyYIIXUMVWJVOYNW-UHFFFAOYSA-N
XLogP4.41
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine (CID 46879490) is N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine is Cc1cccc(C)c1CNc1nccc2c(C)c(C)[nH]c12.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is YIIXUMVWJVOYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-11-6-5-7-12(2)16(11)10-20-18-17-15(8-9-19-18)13(3)14(4)21-17/h5-9,21H,10H2,1-4H3,(H,19,20).
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine?
N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 279.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 46879490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).