(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide

C21H24N4O3 — CID 170687340

IUPAC(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide
SMILESCCOC1NC=C(C)C2=C1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2
InChIInChI=1S/C21H24N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,21,24-25H,5H2,1-4H3,(H2,23,26)/t17-,21?/m1/s1
InChIKeyJDDUZMIRVNDRIK-OQHSHRKDSA-N
MW380.45 g/mol
LogP2.14
Rot. Bonds5

About (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide

(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide (PubChem CID 170687340) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide
PubChem CID170687340
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide
SMILESCCOC1NC=C(C)C2=C1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2
InChIInChI=1S/C21H24N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,21,24-25H,5H2,1-4H3,(H2,23,26)/t17-,21?/m1/s1
InChIKeyJDDUZMIRVNDRIK-OQHSHRKDSA-N
XLogP2.14
TPSA109.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid
CID 145007776
2-cyanoethyl 4-(4-amino-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 146642322
2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 152831744
4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;ethane
CID 177026828
(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;propanoic acid
CID 172970369
(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 172970343
2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 162238995
(4R)-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-[(1-methylcyclopropyl)methoxy]-1,4-dihydro-1,6-naphthyridine-3-carboxamide
CID 156577422
4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2-methyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
CID 59349645
4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-5-[2-(trifluoromethylsulfanyl)ethoxy]-1,4-dihydro-1,6-naphthyridine-3-carboxamide
CID 172509000
(4R)-5-[(1-cyanocyclopropyl)methoxy]-4-(4-cyano-2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
CID 156577502
4-(4-cyano-2-methoxyphenyl)-5-ethoxy-8-methyl-2-(113C)methyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
CID 169436770

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide?
The IUPAC name of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide (CID 170687340) is (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide is CCOC1NC=C(C)C2=C1[C@H](c1ccc(C#N)cc1OC)C(C(N)=O)=C(C)N2.
What is the InChIKey of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide?
The InChIKey is JDDUZMIRVNDRIK-OQHSHRKDSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,21,24-25H,5H2,1-4H3,(H2,23,26)/t17-,21?/m1/s1.
What are the key properties of (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide?
(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 170687340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).