2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine

C20H25N3 — CID 67141915

IUPAC2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine
SMILESCCCn1c(C)c(C)c2ccnc(NCc3ccccc3C)c21
InChIInChI=1S/C20H25N3/c1-5-12-23-16(4)15(3)18-10-11-21-20(19(18)23)22-13-17-9-7-6-8-14(17)2/h6-11H,5,12-13H2,1-4H3,(H,21,22)
InChIKeyVNUMBZUERSTWER-UHFFFAOYSA-N
MW307.44 g/mol
LogP4.98
Rot. Bonds5

About 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine

2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine (PubChem CID 67141915) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine
PubChem CID67141915
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine
SMILESCCCn1c(C)c(C)c2ccnc(NCc3ccccc3C)c21
InChIInChI=1S/C20H25N3/c1-5-12-23-16(4)15(3)18-10-11-21-20(19(18)23)22-13-17-9-7-6-8-14(17)2/h6-11H,5,12-13H2,1-4H3,(H,21,22)
InChIKeyVNUMBZUERSTWER-UHFFFAOYSA-N
XLogP4.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine?
The IUPAC name of 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine (CID 67141915) is 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine.
What is the SMILES notation for 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine?
The canonical SMILES for 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine is CCCn1c(C)c(C)c2ccnc(NCc3ccccc3C)c21.
What is the InChIKey of 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine?
The InChIKey is VNUMBZUERSTWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-5-12-23-16(4)15(3)18-10-11-21-20(19(18)23)22-13-17-9-7-6-8-14(17)2/h6-11H,5,12-13H2,1-4H3,(H,21,22).
What are the key properties of 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine?
2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine has a molecular weight of 307.44 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[(2-methylphenyl)methyl]-1-propylpyrrolo[2,3-c]pyridin-7-amine is sourced from PubChem (CID 67141915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).