1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde

C22H19N3O2 — CID 19900486

IUPAC1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde
SMILESCN(c1ccncc1)n1cc(C=O)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C22H19N3O2/c1-24(19-9-11-23-12-10-19)25-14-18(15-26)21-13-20(7-8-22(21)25)27-16-17-5-3-2-4-6-17/h2-15H,16H2,1H3
InChIKeySHXGKTWSYXVVMF-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.33
Rot. Bonds6

About 1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde

1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde (PubChem CID 19900486) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde.

Molecular Properties

Compound Name1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde
PubChem CID19900486
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde
SMILESCN(c1ccncc1)n1cc(C=O)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C22H19N3O2/c1-24(19-9-11-23-12-10-19)25-14-18(15-26)21-13-20(7-8-22(21)25)27-16-17-5-3-2-4-6-17/h2-15H,16H2,1H3
InChIKeySHXGKTWSYXVVMF-UHFFFAOYSA-N
XLogP4.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(benzenesulfinyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 143599926
5-methyl-1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 155672688
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
4-methyl-6-phenylmethoxyquinoline-2-carbaldehyde
CID 82573841
3-methyl-5-phenylmethoxy-N-pyridin-4-ylindol-1-amine;3-methyl-1-(pyridin-4-ylamino)indol-5-ol
CID 67672264
1-benzyl-2-methyl-5-phenylmethoxyindole-3-carbaldehyde
CID 99991385
1-[(4-phenylmethoxyphenyl)methyl]indole-3-carbaldehyde
CID 18973550
1,3-dimethyl-5-phenylmethoxyindole
CID 23383486
4-(dibenzylamino)-6-phenylmethoxynaphthalene-1-carbaldehyde
CID 86595517
2-methyl-1-(2-phenylethyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991388
2-methyl-1-(2-methylpropyl)-5-phenylmethoxyindole-3-carbaldehyde
CID 99991379
ethyl (E)-3-(1-methyl-5-phenylmethoxyindol-3-yl)prop-2-enoate
CID 11450484

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde?
The IUPAC name of 1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde (CID 19900486) is 1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde.
What is the SMILES notation for 1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde?
The canonical SMILES for 1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde is CN(c1ccncc1)n1cc(C=O)c2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde?
The InChIKey is SHXGKTWSYXVVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-24(19-9-11-23-12-10-19)25-14-18(15-26)21-13-20(7-8-22(21)25)27-16-17-5-3-2-4-6-17/h2-15H,16H2,1H3.
What are the key properties of 1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde?
1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde has a molecular weight of 357.41 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pyridin-4-yl)amino]-5-phenylmethoxyindole-3-carbaldehyde is sourced from PubChem (CID 19900486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).