2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone

C24H22N4O2 — CID 170153096

IUPAC2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
SMILESC=Cc1cc(N)cnc1NCC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C24H22N4O2/c1-2-17-10-19(25)13-26-24(17)27-14-23(29)22-12-18-11-20(8-9-21(18)28-22)30-15-16-6-4-3-5-7-16/h2-13,28H,1,14-15,25H2,(H,26,27)
InChIKeyYQMBAHOHYPQBOE-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.66
Rot. Bonds8

About 2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone

2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone (PubChem CID 170153096) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
PubChem CID170153096
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
SMILESC=Cc1cc(N)cnc1NCC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
InChIInChI=1S/C24H22N4O2/c1-2-17-10-19(25)13-26-24(17)27-14-23(29)22-12-18-11-20(8-9-21(18)28-22)30-15-16-6-4-3-5-7-16/h2-13,28H,1,14-15,25H2,(H,26,27)
InChIKeyYQMBAHOHYPQBOE-UHFFFAOYSA-N
XLogP4.66
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone
CID 172736590
bis(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11698527
(2-methoxyphenyl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 10970353
methyl 2-benzyl-3-(5-phenylmethoxy-1H-indol-2-yl)propanoate
CID 22570321
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
CID 22261154
ethyl 3-(5-phenylmethoxy-1H-indol-2-yl)prop-2-enoate
CID 66854349
(5-nitro-1-benzofuran-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 142529081
pyridin-3-yl 4-(5-phenylmethoxy-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 58417893
5-phenylmethoxy-2-pyridin-2-yl-1H-indole
CID 44556831
N-[4-[2-(ethylamino)ethyl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 71190441
N-[(3-nitrophenyl)methylideneamino]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 3889062

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone?
The IUPAC name of 2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone (CID 170153096) is 2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone.
What is the SMILES notation for 2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone?
The canonical SMILES for 2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone is C=Cc1cc(N)cnc1NCC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1.
What is the InChIKey of 2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone?
The InChIKey is YQMBAHOHYPQBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-2-17-10-19(25)13-26-24(17)27-14-23(29)22-12-18-11-20(8-9-21(18)28-22)30-15-16-6-4-3-5-7-16/h2-13,28H,1,14-15,25H2,(H,26,27).
What are the key properties of 2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone?
2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone has a molecular weight of 398.47 g/mol, XLogP of 4.66, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-3-ethenyl-2-pyridinyl)amino]-1-(5-phenylmethoxy-1H-indol-2-yl)ethanone is sourced from PubChem (CID 170153096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).