3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide

C20H23N3O3 — CID 56884666

IUPAC3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide
SMILESCc1ncc2c(c1CNC(=O)CCc1ccc3c(c1)OCO3)CCNC2
InChIInChI=1S/C20H23N3O3/c1-13-17(16-6-7-21-9-15(16)10-22-13)11-23-20(24)5-3-14-2-4-18-19(8-14)26-12-25-18/h2,4,8,10,21H,3,5-7,9,11-12H2,1H3,(H,23,24)
InChIKeyQFGJFEVAHXOJNH-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.01
Rot. Bonds5

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

3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide (PubChem CID 56884666) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide
PubChem CID56884666
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide
SMILESCc1ncc2c(c1CNC(=O)CCc1ccc3c(c1)OCO3)CCNC2
InChIInChI=1S/C20H23N3O3/c1-13-17(16-6-7-21-9-15(16)10-22-13)11-23-20(24)5-3-14-2-4-18-19(8-14)26-12-25-18/h2,4,8,10,21H,3,5-7,9,11-12H2,1H3,(H,23,24)
InChIKeyQFGJFEVAHXOJNH-UHFFFAOYSA-N
XLogP2.01
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide
CID 56904419
3-(1,3-benzodioxol-5-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propanamide
CID 90647402
3-(1,3-benzodioxol-5-yl)-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)propanamide;hydrochloride
CID 154897119
3-(1,3-benzodioxol-5-yl)-N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]propanamide
CID 136665369
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
3-(1,3-benzodioxol-5-yl)-N-butylpropanamide
CID 53278203
3-(1,3-benzodioxol-5-yl)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608974
N-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 2640900
N-(2-amino-2-methylpropyl)-3-(1,3-benzodioxol-5-yl)propanamide
CID 110833221
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 18132174
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 72927177

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide (CID 56884666) is 3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide is Cc1ncc2c(c1CNC(=O)CCc1ccc3c(c1)OCO3)CCNC2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide?
The InChIKey is QFGJFEVAHXOJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-17(16-6-7-21-9-15(16)10-22-13)11-23-20(24)5-3-14-2-4-18-19(8-14)26-12-25-18/h2,4,8,10,21H,3,5-7,9,11-12H2,1H3,(H,23,24).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide has a molecular weight of 353.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide is sourced from PubChem (CID 56884666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).