N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

C20H22N4O2 — CID 56915819

IUPACN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCc1ncc2c(c1CNC(=O)CC1NC(=O)c3ccccc31)CCNC2
InChIInChI=1S/C20H22N4O2/c1-12-17(14-6-7-21-9-13(14)10-22-12)11-23-19(25)8-18-15-4-2-3-5-16(15)20(26)24-18/h2-5,10,18,21H,6-9,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyIWDDZMNMMIIOPO-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.53
Rot. Bonds4

About N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (PubChem CID 56915819) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
PubChem CID56915819
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
SMILESCc1ncc2c(c1CNC(=O)CC1NC(=O)c3ccccc31)CCNC2
InChIInChI=1S/C20H22N4O2/c1-12-17(14-6-7-21-9-13(14)10-22-12)11-23-19(25)8-18-15-4-2-3-5-16(15)20(26)24-18/h2-5,10,18,21H,6-9,11H2,1H3,(H,23,25)(H,24,26)
InChIKeyIWDDZMNMMIIOPO-UHFFFAOYSA-N
XLogP1.53
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-pyrrolidin-3-ylbenzamide
CID 56898601
2-[(2S)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
CID 95880803
2-[(2R)-1-methylpiperidin-2-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
CID 95880804
3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide
CID 56904419
N-[[3-methyl-7-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]thiophene-2-carboxamide
CID 45251504
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
CID 56881808
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 56881694
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 126828535
N-[(2,6-dimethoxyphenyl)methyl]-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 95126376
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide
CID 56897206
N-benzyl-2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetamide
CID 7678919
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]oxane-4-carboxamide
CID 118759038

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The IUPAC name of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide (CID 56915819) is N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide.
What is the SMILES notation for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The canonical SMILES for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is Cc1ncc2c(c1CNC(=O)CC1NC(=O)c3ccccc31)CCNC2.
What is the InChIKey of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
The InChIKey is IWDDZMNMMIIOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-12-17(14-6-7-21-9-13(14)10-22-12)11-23-19(25)8-18-15-4-2-3-5-16(15)20(26)24-18/h2-5,10,18,21H,6-9,11H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide?
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide has a molecular weight of 350.42 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide is sourced from PubChem (CID 56915819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).