(4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

C24H23N5O3 — CID 156577502

About (4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

(4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (PubChem CID 156577502) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is (4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.

Molecular Properties

• Compound Name: (4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
• PubChem CID: 156577502
• Molecular Formula: C24H23N5O3
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.18
• IUPAC Name: (4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
• SMILES: COc1cc(C#N)ccc1[C@H]1C(C(N)=O)=C(C)Nc2c(C)cnc(OCC3(C#N)CC3)c21
• InChI: InChI=1S/C24H23N5O3/c1-13-10-28-23(32-12-24(11-26)6-7-24)20-19(18(22(27)30)14(2)29-21(13)20)16-5-4-15(9-25)8-17(16)31-3/h4-5,8,10,19,29H,6-7,12H2,1-3H3,(H2,27,30)/t19-/m0/s1
• InChIKey: JYBVQRLKSNHIRB-IBGZPJMESA-N
• XLogP: 3.27
• TPSA: 134.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?

The IUPAC name of (4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide (CID 156577502) is (4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide.

What is the SMILES notation for (4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?

The canonical SMILES for (4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is COc1cc(C#N)ccc1[C@H]1C(C(N)=O)=C(C)Nc2c(C)cnc(OCC3(C#N)CC3)c21.

What is the InChIKey of (4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?

The InChIKey is JYBVQRLKSNHIRB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H23N5O3/c1-13-10-28-23(32-12-24(11-26)6-7-24)20-19(18(22(27)30)14(2)29-21(13)20)16-5-4-15(9-25)8-17(16)31-3/h4-5,8,10,19,29H,6-7,12H2,1-3H3,(H2,27,30)/t19-/m0/s1.

What are the key properties of (4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide?

(4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 156577502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).