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

C20H18N4 — CID 66900677

IUPACN-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESCc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1
InChIInChI=1S/C20H18N4/c1-14-10-16(18-13-23-20-17(18)8-5-9-21-20)11-19(24-14)22-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyIJLSUPPGRIVDPB-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.55
Rot. Bonds4

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

N-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (PubChem CID 66900677) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
PubChem CID66900677
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
SMILESCc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1
InChIInChI=1S/C20H18N4/c1-14-10-16(18-13-23-20-17(18)8-5-9-21-20)11-19(24-14)22-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyIJLSUPPGRIVDPB-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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The IUPAC name of N-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine (CID 66900677) is N-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine.
What is the SMILES notation for N-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The canonical SMILES for N-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is Cc1cc(-c2c[nH]c3ncccc23)cc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
The InChIKey is IJLSUPPGRIVDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-14-10-16(18-13-23-20-17(18)8-5-9-21-20)11-19(24-14)22-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-benzyl-6-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine?
N-benzyl-6-methyl-4-(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-methyl-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine is sourced from PubChem (CID 66900677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).