N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide

C25H27N3O2 — CID 112533666

IUPACN-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cncc3c2CCN(Cc2ccccc2)C3)c1
InChIInChI=1S/C25H27N3O2/c1-30-22-9-5-8-19(14-22)10-11-25(29)27-24-16-26-15-21-18-28(13-12-23(21)24)17-20-6-3-2-4-7-20/h2-9,14-16H,10-13,17-18H2,1H3,(H,27,29)
InChIKeyOYFUXHNRUKQIIF-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.22
Rot. Bonds7

About N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide

N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide (PubChem CID 112533666) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide
PubChem CID112533666
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)Nc2cncc3c2CCN(Cc2ccccc2)C3)c1
InChIInChI=1S/C25H27N3O2/c1-30-22-9-5-8-19(14-22)10-11-25(29)27-24-16-26-15-21-18-28(13-12-23(21)24)17-20-6-3-2-4-7-20/h2-9,14-16H,10-13,17-18H2,1H3,(H,27,29)
InChIKeyOYFUXHNRUKQIIF-UHFFFAOYSA-N
XLogP4.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide with MolForge

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Related Compounds

N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide
CID 112533663
4-chloro-3-[3-(3-methoxyphenyl)propanoylamino]benzoic acid
CID 141007935
2-(4-benzylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109000996
2-[(3-methoxyphenyl)methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 24731661
3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
CID 91838188
3-(3-methoxyphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 35279052
3-(3-methoxyphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]propanamide
CID 31959825
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-3,4-dimethoxybenzamide
CID 3038738
[5-[(3-methoxyphenyl)methyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 53160743
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methoxyphenyl)propanamide
CID 35425039
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073

Frequently Asked Questions

What is the IUPAC name of N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide (CID 112533666) is N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)Nc2cncc3c2CCN(Cc2ccccc2)C3)c1.
What is the InChIKey of N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide?
The InChIKey is OYFUXHNRUKQIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-30-22-9-5-8-19(14-22)10-11-25(29)27-24-16-26-15-21-18-28(13-12-23(21)24)17-20-6-3-2-4-7-20/h2-9,14-16H,10-13,17-18H2,1H3,(H,27,29).
What are the key properties of N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide?
N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide has a molecular weight of 401.51 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 112533666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).