N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

C20H18N4 — CID 11522531

IUPACN-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESCc1cnc2[nH]cc(-c3cccc(NCc4ccccc4)n3)c2c1
InChIInChI=1S/C20H18N4/c1-14-10-16-17(13-23-20(16)22-11-14)18-8-5-9-19(24-18)21-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyDJBVELYKZDUNRL-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.55
Rot. Bonds4

About N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine

N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 11522531) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
PubChem CID11522531
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESCc1cnc2[nH]cc(-c3cccc(NCc4ccccc4)n3)c2c1
InChIInChI=1S/C20H18N4/c1-14-10-16-17(13-23-20(16)22-11-14)18-8-5-9-19(24-18)21-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyDJBVELYKZDUNRL-UHFFFAOYSA-N
XLogP4.55
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 91462753
6-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-phenylethyl]pyridin-2-amine;molecular hydrogen
CID 159000986
6-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
CID 11675798
N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine
CID 11581661
N-[(2-methylphenyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 58442166
N-benzyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine;N-benzyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine
CID 158347023
N-benzyl-6-(3-methylphenyl)pyrazin-2-amine
CID 140905455
5-methyl-3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 170012021
N-[4-[6-(benzylamino)-2-pyridinyl]-5-chloro-2-pyridinyl]formamide
CID 88965073
N-benzyl-3-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
CID 143234929
[2-fluoro-6-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol
CID 129172188
6-fluoro-N-[(2-methyl-4-pyridinyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 52936254

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (CID 11522531) is N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is Cc1cnc2[nH]cc(-c3cccc(NCc4ccccc4)n3)c2c1.
What is the InChIKey of N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The InChIKey is DJBVELYKZDUNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-14-10-16-17(13-23-20(16)22-11-14)18-8-5-9-19(24-18)21-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 11522531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).