N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide

C23H26N4O3 — CID 134807690

IUPACN-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
SMILESCOc1cccc(Nc2ccc3c(n2)C(C)(C(=O)NCc2ccco2)CN(C)C3)c1
InChIInChI=1S/C23H26N4O3/c1-23(22(28)24-13-19-8-5-11-30-19)15-27(2)14-16-9-10-20(26-21(16)23)25-17-6-4-7-18(12-17)29-3/h4-12H,13-15H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyODUBUGVGGKMUDY-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.45
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide

N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide (PubChem CID 134807690) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
PubChem CID134807690
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
SMILESCOc1cccc(Nc2ccc3c(n2)C(C)(C(=O)NCc2ccco2)CN(C)C3)c1
InChIInChI=1S/C23H26N4O3/c1-23(22(28)24-13-19-8-5-11-30-19)15-27(2)14-16-9-10-20(26-21(16)23)25-17-6-4-7-18(12-17)29-3/h4-12H,13-15H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyODUBUGVGGKMUDY-UHFFFAOYSA-N
XLogP3.45
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide with MolForge

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Related Compounds

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CID 108974663
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CID 110348304
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CID 109282450
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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide (CID 134807690) is N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide is COc1cccc(Nc2ccc3c(n2)C(C)(C(=O)NCc2ccco2)CN(C)C3)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The InChIKey is ODUBUGVGGKMUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-23(22(28)24-13-19-8-5-11-30-19)15-27(2)14-16-9-10-20(26-21(16)23)25-17-6-4-7-18(12-17)29-3/h4-12H,13-15H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(3-methoxyanilino)-6,8-dimethyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 134807690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).