4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile

C20H18N4O2 — CID 67415874

IUPAC4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile
SMILESCCOc1nccc2c1C(c1ccc(C#N)cc1OC)C(C#N)=C(C)N2
InChIInChI=1S/C20H18N4O2/c1-4-26-20-19-16(7-8-23-20)24-12(2)15(11-22)18(19)14-6-5-13(10-21)9-17(14)25-3/h5-9,18,24H,4H2,1-3H3
InChIKeyANOXKDNMHLYCBG-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.72
Rot. Bonds4

About 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile

4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile (PubChem CID 67415874) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile
PubChem CID67415874
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile
SMILESCCOc1nccc2c1C(c1ccc(C#N)cc1OC)C(C#N)=C(C)N2
InChIInChI=1S/C20H18N4O2/c1-4-26-20-19-16(7-8-23-20)24-12(2)15(11-22)18(19)14-6-5-13(10-21)9-17(14)25-3/h5-9,18,24H,4H2,1-3H3
InChIKeyANOXKDNMHLYCBG-UHFFFAOYSA-N
XLogP3.72
TPSA90.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile (CID 67415874) is 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile is CCOc1nccc2c1C(c1ccc(C#N)cc1OC)C(C#N)=C(C)N2.
What is the InChIKey of 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile?
The InChIKey is ANOXKDNMHLYCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-4-26-20-19-16(7-8-23-20)24-12(2)15(11-22)18(19)14-6-5-13(10-21)9-17(14)25-3/h5-9,18,24H,4H2,1-3H3.
What are the key properties of 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile?
4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 67415874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).