N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine

C23H24N4O3S — CID 174792289

IUPACN-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine
SMILESCNCc1cn(S(=O)(=O)c2cccnc2)c2cc(NCc3ccc(OC)cc3)ccc12
InChIInChI=1S/C23H24N4O3S/c1-24-14-18-16-27(31(28,29)21-4-3-11-25-15-21)23-12-19(7-10-22(18)23)26-13-17-5-8-20(30-2)9-6-17/h3-12,15-16,24,26H,13-14H2,1-2H3
InChIKeyMIVAIACBYDPPJW-UHFFFAOYSA-N
MW436.54 g/mol
LogP3.61
Rot. Bonds8

About N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine

N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine (PubChem CID 174792289) has the molecular formula C23H24N4O3S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine
PubChem CID174792289
Molecular FormulaC23H24N4O3S
Molecular Weight436.54 g/mol
Exact Mass436.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine
SMILESCNCc1cn(S(=O)(=O)c2cccnc2)c2cc(NCc3ccc(OC)cc3)ccc12
InChIInChI=1S/C23H24N4O3S/c1-24-14-18-16-27(31(28,29)21-4-3-11-25-15-21)23-12-19(7-10-22(18)23)26-13-17-5-8-20(30-2)9-6-17/h3-12,15-16,24,26H,13-14H2,1-2H3
InChIKeyMIVAIACBYDPPJW-UHFFFAOYSA-N
XLogP3.61
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine;hydrochloride
CID 142724812
methyl N-[[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl]carbamate
CID 174792232
[6-(hydroxymethyl)-1-pyridin-3-ylsulfonylindol-3-yl]methyl N-methylcarbamate
CID 134346738
N-(2-chloro-4-methoxyphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylindol-6-amine
CID 122449429
6-(2-chloro-4-methoxyanilino)-N,N-dimethyl-1-pyridin-3-ylsulfonylindole-3-carboxamide
CID 122449442
6-(bromomethyl)-3-methyl-1-pyridin-3-ylsulfonylindole
CID 174792264
N-[[4-(5-methoxyindol-1-yl)sulfonylphenyl]methyl]quinolin-7-amine
CID 141109209
2-[6-(bromomethyl)-1-pyridin-3-ylsulfonylindol-3-yl]ethyl carbamate
CID 175317176
4-(3-propyl-1-pyridin-3-ylsulfonylindol-6-yl)aniline
CID 161364995
N-methyl-1-(1-pyridin-3-ylsulfonyl-5-thiophen-2-ylpyrrol-3-yl)methanamine
CID 66974732
1-[(4-methoxyphenyl)methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 51079484
1-[5-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]-N-methylmethanamine
CID 118884558

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine (CID 174792289) is N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine is CNCc1cn(S(=O)(=O)c2cccnc2)c2cc(NCc3ccc(OC)cc3)ccc12.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine?
The InChIKey is MIVAIACBYDPPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3S/c1-24-14-18-16-27(31(28,29)21-4-3-11-25-15-21)23-12-19(7-10-22(18)23)26-13-17-5-8-20(30-2)9-6-17/h3-12,15-16,24,26H,13-14H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine?
N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine has a molecular weight of 436.54 g/mol, XLogP of 3.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(methylaminomethyl)-1-pyridin-3-ylsulfonylindol-6-amine is sourced from PubChem (CID 174792289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).