4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide

C20H22ClN3O3 — CID 53079738

IUPAC4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide
SMILESCCOCCCNC(=O)c1cc2occc2c(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C20H22ClN3O3/c1-3-26-9-4-8-22-20(25)17-12-18-15(7-10-27-18)19(24-17)23-14-6-5-13(2)16(21)11-14/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyHWWRDJGTOPUSTL-UHFFFAOYSA-N
MW387.87 g/mol
LogP4.69
Rot. Bonds8

About 4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide

4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide (PubChem CID 53079738) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide
PubChem CID53079738
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide
SMILESCCOCCCNC(=O)c1cc2occc2c(Nc2ccc(C)c(Cl)c2)n1
InChIInChI=1S/C20H22ClN3O3/c1-3-26-9-4-8-22-20(25)17-12-18-15(7-10-27-18)19(24-17)23-14-6-5-13(2)16(21)11-14/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyHWWRDJGTOPUSTL-UHFFFAOYSA-N
XLogP4.69
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-chloro-4-methylanilino)-N-(3-pyrrolidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide
CID 53079750
4-(3-chloro-4-methylanilino)-N-(3-piperidin-1-ylpropyl)furo[3,2-c]pyridine-6-carboxamide
CID 53079749
4-(4-chloroanilino)-N-(3-methylbutyl)furo[3,2-c]pyridine-6-carboxamide
CID 53079613
6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365263
N-[3-(azepan-1-yl)butyl]-4-(4-bromo-3-methylanilino)furo[3,2-c]pyridine-6-carboxamide
CID 53079843
2-(3-chloro-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312124
2,6-dichloro-N-(3-ethoxypropyl)pyridine-4-carboxamide
CID 43090785
5-(3-chloro-4-methylanilino)-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183935
5-[(3-chloro-4-methylphenyl)carbamoylamino]-N-(3-ethoxypropyl)-2-piperidin-1-ylbenzamide
CID 3895731
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013
2-chloro-N-(3-ethoxypropyl)-4-(methanesulfonamido)benzamide
CID 92686029
N-butyl-2-(3,4-dichloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109320778

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide (CID 53079738) is 4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide is CCOCCCNC(=O)c1cc2occc2c(Nc2ccc(C)c(Cl)c2)n1.
What is the InChIKey of 4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide?
The InChIKey is HWWRDJGTOPUSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-3-26-9-4-8-22-20(25)17-12-18-15(7-10-27-18)19(24-17)23-14-6-5-13(2)16(21)11-14/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide?
4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylanilino)-N-(3-ethoxypropyl)furo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 53079738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).