1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine

C21H26N4 — CID 163535514

IUPAC1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCc1cccc(Nc2ncc(CN3CCCCC3)c3c2ccn3C)c1
InChIInChI=1S/C21H26N4/c1-16-7-6-8-18(13-16)23-21-19-9-12-24(2)20(19)17(14-22-21)15-25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,22,23)
InChIKeyDWPXGZFGNBMEKO-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.61
Rot. Bonds4

About 1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine

1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 163535514) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
PubChem CID163535514
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine
SMILESCc1cccc(Nc2ncc(CN3CCCCC3)c3c2ccn3C)c1
InChIInChI=1S/C21H26N4/c1-16-7-6-8-18(13-16)23-21-19-9-12-24(2)20(19)17(14-22-21)15-25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,22,23)
InChIKeyDWPXGZFGNBMEKO-UHFFFAOYSA-N
XLogP4.61
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine?
The IUPAC name of 1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine (CID 163535514) is 1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine.
What is the SMILES notation for 1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine?
The canonical SMILES for 1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine is Cc1cccc(Nc2ncc(CN3CCCCC3)c3c2ccn3C)c1.
What is the InChIKey of 1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine?
The InChIKey is DWPXGZFGNBMEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-16-7-6-8-18(13-16)23-21-19-9-12-24(2)20(19)17(14-22-21)15-25-10-4-3-5-11-25/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,22,23).
What are the key properties of 1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine?
1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 334.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylphenyl)-7-(piperidin-1-ylmethyl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 163535514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).