3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol

C35H32N6O2 — CID 67672264

IUPAC3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol
SMILESCc1cn(Nc2ccncc2)c2ccc(O)cc12.Cc1cn(Nc2ccncc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C21H19N3O.C14H13N3O/c1-16-14-24(23-18-9-11-22-12-10-18)21-8-7-19(13-20(16)21)25-15-17-5-3-2-4-6-17;1-10-9-17(16-11-4-6-15-7-5-11)14-3-2-12(18)8-13(10)14/h2-14H,15H2,1H3,(H,22,23);2-9,18H,1H3,(H,15,16)
InChIKeySGKQWABNFZPQPF-UHFFFAOYSA-N
MW568.68 g/mol
LogP7.72
Rot. Bonds7

About 3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol

3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol (PubChem CID 67672264) has the molecular formula C35H32N6O2 and a molecular weight of 568.68 g/mol. Its IUPAC name is 3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol.

Molecular Properties

Compound Name3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol
PubChem CID67672264
Molecular FormulaC35H32N6O2
Molecular Weight568.68 g/mol
Exact Mass568.26
IUPAC Name3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol
SMILESCc1cn(Nc2ccncc2)c2ccc(O)cc12.Cc1cn(Nc2ccncc2)c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C21H19N3O.C14H13N3O/c1-16-14-24(23-18-9-11-22-12-10-18)21-8-7-19(13-20(16)21)25-15-17-5-3-2-4-6-17;1-10-9-17(16-11-4-6-15-7-5-11)14-3-2-12(18)8-13(10)14/h2-14H,15H2,1H3,(H,22,23);2-9,18H,1H3,(H,15,16)
InChIKeySGKQWABNFZPQPF-UHFFFAOYSA-N
XLogP7.72
TPSA89.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.68
LogP ≤ 57.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-dimethyl-5-phenylmethoxyindole
CID 23383486
N-[(3-phenylmethoxyphenyl)methyl]pyridin-4-amine
CID 141029302
1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde
CID 19900486
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
1-[[4-(2-bromoethoxy)phenyl]methyl]-3-methyl-5-phenylmethoxyindole
CID 142647919
5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine
CID 19802663
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
2-(5-phenylmethoxyindol-1-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 45493262
(4-methyl-6-phenylmethoxyquinolin-2-yl)methanol
CID 82576433
7-phenylmethoxyquinoline;quinolin-7-ol
CID 160975104
2-chloro-4-methyl-6-phenylmethoxyquinoline
CID 82580959
N-(4-phenylmethoxyphenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 108999707

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol?
The IUPAC name of 3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol (CID 67672264) is 3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol.
What is the SMILES notation for 3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol?
The canonical SMILES for 3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol is Cc1cn(Nc2ccncc2)c2ccc(O)cc12.Cc1cn(Nc2ccncc2)c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol?
The InChIKey is SGKQWABNFZPQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O.C14H13N3O/c1-16-14-24(23-18-9-11-22-12-10-18)21-8-7-19(13-20(16)21)25-15-17-5-3-2-4-6-17;1-10-9-17(16-11-4-6-15-7-5-11)14-3-2-12(18)8-13(10)14/h2-14H,15H2,1H3,(H,22,23);2-9,18H,1H3,(H,15,16).
What are the key properties of 3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol?
3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol has a molecular weight of 568.68 g/mol, XLogP of 7.72, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol is sourced from PubChem (CID 67672264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).