N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine

C19H26N2O3 — CID 164614957

IUPACN-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine
SMILESCCCCN(c1ccnc(C)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H26N2O3/c1-6-7-10-21(15-8-9-20-14(2)11-15)16-12-17(22-3)19(24-5)18(13-16)23-4/h8-9,11-13H,6-7,10H2,1-5H3
InChIKeyUWSRUFRRGMGFOR-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.35
Rot. Bonds8

About N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine

N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine (PubChem CID 164614957) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine.

Molecular Properties

Compound NameN-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine
PubChem CID164614957
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine
SMILESCCCCN(c1ccnc(C)c1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H26N2O3/c1-6-7-10-21(15-8-9-20-14(2)11-15)16-12-17(22-3)19(24-5)18(13-16)23-4/h8-9,11-13H,6-7,10H2,1-5H3
InChIKeyUWSRUFRRGMGFOR-UHFFFAOYSA-N
XLogP4.35
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine?
The IUPAC name of N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine (CID 164614957) is N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine.
What is the SMILES notation for N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine?
The canonical SMILES for N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine is CCCCN(c1ccnc(C)c1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine?
The InChIKey is UWSRUFRRGMGFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-6-7-10-21(15-8-9-20-14(2)11-15)16-12-17(22-3)19(24-5)18(13-16)23-4/h8-9,11-13H,6-7,10H2,1-5H3.
What are the key properties of N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine?
N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine has a molecular weight of 330.43 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-N-(3,4,5-trimethoxyphenyl)pyridin-4-amine is sourced from PubChem (CID 164614957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).