N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine

C24H33N3 — CID 22474377

IUPACN-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine
SMILESCCCCN(CC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cn(C)c12
InChIInChI=1S/C24H33N3/c1-8-10-11-27(9-2)21-14-19(6)25-23-20(15-26(7)24(21)23)22-17(4)12-16(3)13-18(22)5/h12-15H,8-11H2,1-7H3
InChIKeyZNPMFFUKNDLHGF-UHFFFAOYSA-N
MW363.55 g/mol
LogP6.10
Rot. Bonds6

About N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine

N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine (PubChem CID 22474377) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine
PubChem CID22474377
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC NameN-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine
SMILESCCCCN(CC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cn(C)c12
InChIInChI=1S/C24H33N3/c1-8-10-11-27(9-2)21-14-19(6)25-23-20(15-26(7)24(21)23)22-17(4)12-16(3)13-18(22)5/h12-15H,8-11H2,1-7H3
InChIKeyZNPMFFUKNDLHGF-UHFFFAOYSA-N
XLogP6.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.55
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine?
The IUPAC name of N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine (CID 22474377) is N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine.
What is the SMILES notation for N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine?
The canonical SMILES for N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine is CCCCN(CC)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cn(C)c12.
What is the InChIKey of N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine?
The InChIKey is ZNPMFFUKNDLHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3/c1-8-10-11-27(9-2)21-14-19(6)25-23-20(15-26(7)24(21)23)22-17(4)12-16(3)13-18(22)5/h12-15H,8-11H2,1-7H3.
What are the key properties of N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine?
N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine has a molecular weight of 363.55 g/mol, XLogP of 6.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1,5-dimethyl-3-(2,4,6-trimethylphenyl)pyrrolo[3,2-b]pyridin-7-amine is sourced from PubChem (CID 22474377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).