(4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide

C28H24N4O3 — CID 156819266

IUPAC(4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
SMILESCOc1cccc(-c2ccc3cnc(CNC(=O)c4ccc5c(c4)[C@](C)(C#N)COC5)cc3n2)c1
InChIInChI=1S/C28H24N4O3/c1-28(16-29)17-35-15-21-7-6-19(11-24(21)28)27(33)31-14-22-12-26-20(13-30-22)8-9-25(32-26)18-4-3-5-23(10-18)34-2/h3-13H,14-15,17H2,1-2H3,(H,31,33)/t28-/m1/s1
InChIKeyHSEBGVDHGUCFGH-MUUNZHRXSA-N
MW464.53 g/mol
LogP4.55
Rot. Bonds5

About (4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide

(4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide (PubChem CID 156819266) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is (4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide.

Molecular Properties

Compound Name(4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
PubChem CID156819266
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC Name(4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide
SMILESCOc1cccc(-c2ccc3cnc(CNC(=O)c4ccc5c(c4)[C@](C)(C#N)COC5)cc3n2)c1
InChIInChI=1S/C28H24N4O3/c1-28(16-29)17-35-15-21-7-6-19(11-24(21)28)27(33)31-14-22-12-26-20(13-30-22)8-9-25(32-26)18-4-3-5-23(10-18)34-2/h3-13H,14-15,17H2,1-2H3,(H,31,33)/t28-/m1/s1
InChIKeyHSEBGVDHGUCFGH-MUUNZHRXSA-N
XLogP4.55
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide with MolForge

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Related Compounds

3-[2-(4-cyanophenyl)ethoxy]-4-fluoro-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}benzamide
CID 23396259
N-(2-methoxybenzyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 3554156
2-(3-methoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 1012146
8-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 4384722
5-(3,5-dimethylphenyl)-N-[(3-methoxyphenyl)methyl]-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060382
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-oxo-5H-benzo[c][1,7]naphthyridine-8-carboxamide
CID 121363732
N-[1-(6-methoxypyridin-2-yl)ethyl]-5H-chromeno [3,4-c]pyridine-8-carboxamide
CID 121363764
1-[6-Methoxy-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]-4-phenylpiperidine-4-carbonitrile
CID 142581589
US11866436, Example 107
CID 164915054
[4-(3-Methoxybenzyl)piperazin-1-yl][6-methyl-2-(pyridin-4-yl)quinolin-4-yl]methanone
CID 1261545
N-(4-Methoxy-2-methylphenyl)-6,8-dimethyl-2-(2-pyridinyl)-4-quinolinecarboxamide
CID 1261631
2-(3-methoxyphenyl)-N-(pyridin-4-yl)quinoline-4-carboxamide
CID 1359156

Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The IUPAC name of (4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide (CID 156819266) is (4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide.
What is the SMILES notation for (4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The canonical SMILES for (4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide is COc1cccc(-c2ccc3cnc(CNC(=O)c4ccc5c(c4)[C@](C)(C#N)COC5)cc3n2)c1.
What is the InChIKey of (4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide?
The InChIKey is HSEBGVDHGUCFGH-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-28(16-29)17-35-15-21-7-6-19(11-24(21)28)27(33)31-14-22-12-26-20(13-30-22)8-9-25(32-26)18-4-3-5-23(10-18)34-2/h3-13H,14-15,17H2,1-2H3,(H,31,33)/t28-/m1/s1.
What are the key properties of (4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide?
(4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyano-N-[[2-(3-methoxyphenyl)-1,6-naphthyridin-7-yl]methyl]-4-methyl-1,3-dihydroisochromene-6-carboxamide is sourced from PubChem (CID 156819266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).