1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine

C17H19N3O — CID 110453531

IUPAC1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine
SMILESCOc1ccc2[nH]cc(C(c3cccnc3)N(C)C)c2c1
InChIInChI=1S/C17H19N3O/c1-20(2)17(12-5-4-8-18-10-12)15-11-19-16-7-6-13(21-3)9-14(15)16/h4-11,17,19H,1-3H3
InChIKeyRLBXNVNWKBGTNS-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.22
Rot. Bonds4

About 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine

1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine (PubChem CID 110453531) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine
PubChem CID110453531
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine
SMILESCOc1ccc2[nH]cc(C(c3cccnc3)N(C)C)c2c1
InChIInChI=1S/C17H19N3O/c1-20(2)17(12-5-4-8-18-10-12)15-11-19-16-7-6-13(21-3)9-14(15)16/h4-11,17,19H,1-3H3
InChIKeyRLBXNVNWKBGTNS-UHFFFAOYSA-N
XLogP3.22
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-methoxy-1H-indol-3-yl)-phenylmethyl]-N-methylaniline
CID 57379324
3-[(5-methoxy-1H-indol-3-yl)-(pyridin-3-ylamino)methyl]phenol
CID 110453556
2-(5-methoxy-1H-indol-3-yl)-3-pyridin-3-ylpropan-1-amine
CID 83976611
2-(dimethylamino)-2-(5-methoxy-1H-indol-3-yl)ethanethioamide
CID 84749835
1-(2,5-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801474
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207
3-(5-methoxy-1H-indol-3-yl)-3-phenylpropan-1-ol
CID 177308406
1-(2,4-dimethoxyphenyl)-3-[2-(1H-indol-3-yl)-2-pyridin-3-ylethyl]urea
CID 50801426
5-methoxy-3-[(1R)-2-nitro-1-phenylethyl]-1H-indole
CID 93117865
5-methoxy-3-[(1S)-2-nitro-1-phenylethyl]-1H-indole
CID 93117864
(2S)-2-amino-2-(5-methoxy-1H-indol-3-yl)ethanol;hydrochloride
CID 171199760
5-methoxy-3-propan-2-yl-1H-indole;oxalic acid
CID 19389680

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine?
The IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine (CID 110453531) is 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine is COc1ccc2[nH]cc(C(c3cccnc3)N(C)C)c2c1.
What is the InChIKey of 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine?
The InChIKey is RLBXNVNWKBGTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20(2)17(12-5-4-8-18-10-12)15-11-19-16-7-6-13(21-3)9-14(15)16/h4-11,17,19H,1-3H3.
What are the key properties of 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine?
1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 110453531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).