2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide

C26H29N3O2 — CID 91283137

IUPAC2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide
SMILESCOc1ccc(CCN2c3cccnc3CCC2C(C)(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O2/c1-26(25(27)30,20-7-4-3-5-8-20)24-15-14-22-23(9-6-17-28-22)29(24)18-16-19-10-12-21(31-2)13-11-19/h3-13,17,24H,14-16,18H2,1-2H3,(H2,27,30)
InChIKeyHRAVYTHJLKBZNW-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.90
Rot. Bonds7

About 2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide

2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide (PubChem CID 91283137) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide
PubChem CID91283137
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide
SMILESCOc1ccc(CCN2c3cccnc3CCC2C(C)(C(N)=O)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O2/c1-26(25(27)30,20-7-4-3-5-8-20)24-15-14-22-23(9-6-17-28-22)29(24)18-16-19-10-12-21(31-2)13-11-19/h3-13,17,24H,14-16,18H2,1-2H3,(H2,27,30)
InChIKeyHRAVYTHJLKBZNW-UHFFFAOYSA-N
XLogP3.90
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl-[1-[2-(4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]carbamic acid
CID 69234125
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
tert-butyl-[(2R)-1-(2-fluorophenyl)-4-[[1-[2-(4-methoxyphenyl)ethyl]-2-oxo-3,4-dihydro-1,5-naphthyridin-3-yl]amino]-4-oxobutan-2-yl]carbamic acid
CID 69230966
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 99871448
1-(benzylamino)-4-(4-tert-butylphenyl)-3-[2-(4-methoxyphenyl)ethyl]imidazolidin-2-one
CID 25015934
(2S)-1-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-2-phenoxypropan-1-one
CID 95157678
N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-3-carboxamide
CID 56894023
methyl 4-[2-[(3R)-3-(2-amino-2-oxo-1,1-diphenylethyl)pyrrolidin-1-yl]ethyl]benzoate
CID 54263266
(3R)-1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 97151949
2-amino-N-[(4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 62489084

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide?
The IUPAC name of 2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide (CID 91283137) is 2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide.
What is the SMILES notation for 2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide?
The canonical SMILES for 2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide is COc1ccc(CCN2c3cccnc3CCC2C(C)(C(N)=O)c2ccccc2)cc1.
What is the InChIKey of 2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide?
The InChIKey is HRAVYTHJLKBZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-26(25(27)30,20-7-4-3-5-8-20)24-15-14-22-23(9-6-17-28-22)29(24)18-16-19-10-12-21(31-2)13-11-19/h3-13,17,24H,14-16,18H2,1-2H3,(H2,27,30).
What are the key properties of 2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide?
2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide has a molecular weight of 415.54 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-1,5-naphthyridin-2-yl]-2-phenylpropanamide is sourced from PubChem (CID 91283137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).