N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine

C26H29N5 — CID 86292432

IUPACN-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
SMILESCN1CCC(c2cc3c(-c4cccc(N(C)Cc5ccccc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C26H29N5/c1-30-15-12-20(13-16-30)24-17-22-21(11-14-27-26(22)29-24)23-9-6-10-25(28-23)31(2)18-19-7-4-3-5-8-19/h3-11,14,17,20H,12-13,15-16,18H2,1-2H3,(H,27,29)
InChIKeyLOWTYMOPTFLWHN-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.07
Rot. Bonds5

About N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine

N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine (PubChem CID 86292432) has the molecular formula C26H29N5 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
PubChem CID86292432
Molecular FormulaC26H29N5
Molecular Weight411.55 g/mol
Exact Mass411.24
IUPAC NameN-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine
SMILESCN1CCC(c2cc3c(-c4cccc(N(C)Cc5ccccc5)n4)ccnc3[nH]2)CC1
InChIInChI=1S/C26H29N5/c1-30-15-12-20(13-16-30)24-17-22-21(11-14-27-26(22)29-24)23-9-6-10-25(28-23)31(2)18-19-7-4-3-5-8-19/h3-11,14,17,20H,12-13,15-16,18H2,1-2H3,(H,27,29)
InChIKeyLOWTYMOPTFLWHN-UHFFFAOYSA-N
XLogP5.07
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?
The IUPAC name of N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine (CID 86292432) is N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?
The canonical SMILES for N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine is CN1CCC(c2cc3c(-c4cccc(N(C)Cc5ccccc5)n4)ccnc3[nH]2)CC1.
What is the InChIKey of N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?
The InChIKey is LOWTYMOPTFLWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5/c1-30-15-12-20(13-16-30)24-17-22-21(11-14-27-26(22)29-24)23-9-6-10-25(28-23)31(2)18-19-7-4-3-5-8-19/h3-11,14,17,20H,12-13,15-16,18H2,1-2H3,(H,27,29).
What are the key properties of N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine?
N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine has a molecular weight of 411.55 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-6-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]pyridin-2-amine is sourced from PubChem (CID 86292432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).