butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate

C30H42N2O5 — CID 71292250

IUPACbutyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate
SMILESCCCCOC(=O)c1c(OCCCC)nc(-c2cc3ccc(OC)cc3n2C)c(CC)c1OCCCC
InChIInChI=1S/C30H42N2O5/c1-7-11-16-35-28-23(10-4)27(25-19-21-14-15-22(34-6)20-24(21)32(25)5)31-29(36-17-12-8-2)26(28)30(33)37-18-13-9-3/h14-15,19-20H,7-13,16-18H2,1-6H3
InChIKeyTXISSPJGKIKBJD-UHFFFAOYSA-N
MW510.68 g/mol
LogP7.13
Rot. Bonds15

About butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate

butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate (PubChem CID 71292250) has the molecular formula C30H42N2O5 and a molecular weight of 510.68 g/mol. Its IUPAC name is butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namebutyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate
PubChem CID71292250
Molecular FormulaC30H42N2O5
Molecular Weight510.68 g/mol
Exact Mass510.31
IUPAC Namebutyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate
SMILESCCCCOC(=O)c1c(OCCCC)nc(-c2cc3ccc(OC)cc3n2C)c(CC)c1OCCCC
InChIInChI=1S/C30H42N2O5/c1-7-11-16-35-28-23(10-4)27(25-19-21-14-15-22(34-6)20-24(21)32(25)5)31-29(36-17-12-8-2)26(28)30(33)37-18-13-9-3/h14-15,19-20H,7-13,16-18H2,1-6H3
InChIKeyTXISSPJGKIKBJD-UHFFFAOYSA-N
XLogP7.13
TPSA71.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate with MolForge

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Related Compounds

butyl 3,6-dihydroxy-2-(2-hydroxy-7-methoxynaphthalen-1-yl)benzoate
CID 132553399
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717157
butyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 10221471
5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid
CID 115108015
3-ethyl-7-methoxy-1-methylquinolin-2-one
CID 143543946
3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107760
3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one
CID 139718108
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 58490950
icosyl 4-methoxybenzoate
CID 71438594
6-methoxy-1-methylindol-2-ol
CID 141043556
dibutyl 2,3-dibutoxybenzene-1,4-dicarboxylate
CID 90075553

Frequently Asked Questions

What is the IUPAC name of butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate?
The IUPAC name of butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate (CID 71292250) is butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate.
What is the SMILES notation for butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate?
The canonical SMILES for butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate is CCCCOC(=O)c1c(OCCCC)nc(-c2cc3ccc(OC)cc3n2C)c(CC)c1OCCCC.
What is the InChIKey of butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate?
The InChIKey is TXISSPJGKIKBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O5/c1-7-11-16-35-28-23(10-4)27(25-19-21-14-15-22(34-6)20-24(21)32(25)5)31-29(36-17-12-8-2)26(28)30(33)37-18-13-9-3/h14-15,19-20H,7-13,16-18H2,1-6H3.
What are the key properties of butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate?
butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate has a molecular weight of 510.68 g/mol, XLogP of 7.13, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2,4-dibutoxy-5-ethyl-6-(6-methoxy-1-methylindol-2-yl)pyridine-3-carboxylate is sourced from PubChem (CID 71292250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).