N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine

C21H20N4 — CID 25151533

IUPACN-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESc1ccc(CCNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
InChIInChI=1S/C21H20N4/c1-2-5-16(6-3-1)10-12-22-20-9-8-17(14-24-20)13-18-15-25-21-19(18)7-4-11-23-21/h1-9,11,14-15H,10,12-13H2,(H,22,24)(H,23,25)
InChIKeyORWCJCPDRYSBJK-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.20
Rot. Bonds6

About N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine

N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 25151533) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID25151533
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC NameN-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
SMILESc1ccc(CCNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1
InChIInChI=1S/C21H20N4/c1-2-5-16(6-3-1)10-12-22-20-9-8-17(14-24-20)13-18-15-25-21-19(18)7-4-11-23-21/h1-9,11,14-15H,10,12-13H2,(H,22,24)(H,23,25)
InChIKeyORWCJCPDRYSBJK-UHFFFAOYSA-N
XLogP4.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine
CID 71015926
5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-amine
CID 24955367
5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyridin-2-amine
CID 67201045
5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine
CID 141359883
5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[[1-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]pyridin-2-amine
CID 154444101
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
3-[[6-[2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442263
1-phenyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)phenyl]ethanone
CID 58065947
2-pyridin-3-yl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
CID 66416226
5-(aminomethyl)-N-[2-(1H-indol-3-yl)ethyl]pyridin-2-amine
CID 95471746
3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259318
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 59362788

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine (CID 25151533) is N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is c1ccc(CCNc2ccc(Cc3c[nH]c4ncccc34)cn2)cc1.
What is the InChIKey of N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is ORWCJCPDRYSBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-2-5-16(6-3-1)10-12-22-20-9-8-17(14-24-20)13-18-15-25-21-19(18)7-4-11-23-21/h1-9,11,14-15H,10,12-13H2,(H,22,24)(H,23,25).
What are the key properties of N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine?
N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 25151533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).