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

C21H26N4O — CID 56881808

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
SMILESCc1ncc2c(c1CNC(=O)CN1CCc3ccccc3C1)CCNC2
InChIInChI=1S/C21H26N4O/c1-15-20(19-6-8-22-10-18(19)11-23-15)12-24-21(26)14-25-9-7-16-4-2-3-5-17(16)13-25/h2-5,11,22H,6-10,12-14H2,1H3,(H,24,26)
InChIKeyAQMQEJIBCNUTCF-UHFFFAOYSA-N
MW350.47 g/mol
LogP1.71
Rot. Bonds4

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide (PubChem CID 56881808) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
PubChem CID56881808
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
SMILESCc1ncc2c(c1CNC(=O)CN1CCc3ccccc3C1)CCNC2
InChIInChI=1S/C21H26N4O/c1-15-20(19-6-8-22-10-18(19)11-23-15)12-24-21(26)14-25-9-7-16-4-2-3-5-17(16)13-25/h2-5,11,22H,6-10,12-14H2,1H3,(H,24,26)
InChIKeyAQMQEJIBCNUTCF-UHFFFAOYSA-N
XLogP1.71
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide
CID 95896772
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]pyridine-4-carboxamide
CID 56897206
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 56881694
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 56886955
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
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
3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide
CID 56904419
3-(4-hydroxyphenyl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56886039
(2S,3R)-2-amino-3-hydroxy-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]butanamide
CID 56893649
3-hydroxy-4-methyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]benzamide
CID 56904541
N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]-3-morpholin-4-ylbenzamide
CID 56882113

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide?
The IUPAC name of 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) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide is Cc1ncc2c(c1CNC(=O)CN1CCc3ccccc3C1)CCNC2.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide?
The InChIKey is AQMQEJIBCNUTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-15-20(19-6-8-22-10-18(19)11-23-15)12-24-21(26)14-25-9-7-16-4-2-3-5-17(16)13-25/h2-5,11,22H,6-10,12-14H2,1H3,(H,24,26).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide has a molecular weight of 350.47 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]acetamide is sourced from PubChem (CID 56881808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).