benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate

C29H27N3O2 — CID 118411424

IUPACbenzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate
SMILESO=C(Nc1cnc2c(c1-c1ccccc1)CCN(Cc1ccccc1)C2)OCc1ccccc1
InChIInChI=1S/C29H27N3O2/c33-29(34-21-23-12-6-2-7-13-23)31-26-18-30-27-20-32(19-22-10-4-1-5-11-22)17-16-25(27)28(26)24-14-8-3-9-15-24/h1-15,18H,16-17,19-21H2,(H,31,33)
InChIKeySTKYJARZFSVZGC-UHFFFAOYSA-N
MW449.55 g/mol
LogP6.06
Rot. Bonds6

About benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate

benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate (PubChem CID 118411424) has the molecular formula C29H27N3O2 and a molecular weight of 449.55 g/mol. Its IUPAC name is benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate
PubChem CID118411424
Molecular FormulaC29H27N3O2
Molecular Weight449.55 g/mol
Exact Mass449.21
IUPAC Namebenzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate
SMILESO=C(Nc1cnc2c(c1-c1ccccc1)CCN(Cc1ccccc1)C2)OCc1ccccc1
InChIInChI=1S/C29H27N3O2/c33-29(34-21-23-12-6-2-7-13-23)31-26-18-30-27-20-32(19-22-10-4-1-5-11-22)17-16-25(27)28(26)24-14-8-3-9-15-24/h1-15,18H,16-17,19-21H2,(H,31,33)
InChIKeySTKYJARZFSVZGC-UHFFFAOYSA-N
XLogP6.06
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.55
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid
CID 129050640
7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 58378136
2-[2-(4-chlorophenyl)-6-oxo-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetic acid
CID 10093188
benzyl N-[6-oxo-1-(2-oxoethyl)-2-phenylpyrimidin-5-yl]carbamate
CID 10361338
benzyl N-[2-(3-chlorophenyl)-6-oxo-1-(2-oxoethyl)pyrimidin-5-yl]carbamate
CID 15895419
N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide
CID 143298615
4-chloro-2-(phenylmethoxycarbonylamino)benzoic acid
CID 29299845
benzyl carbonochloridate;1-benzylpiperidin-4-one;ethane
CID 90736428
benzyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate
CID 130581136
2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine
CID 154448860
benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 91450815
tert-butyl N-[1-(7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]carbamate
CID 167080460

Frequently Asked Questions

What is the IUPAC name of benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate?
The IUPAC name of benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate (CID 118411424) is benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate?
The canonical SMILES for benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate is O=C(Nc1cnc2c(c1-c1ccccc1)CCN(Cc1ccccc1)C2)OCc1ccccc1.
What is the InChIKey of benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate?
The InChIKey is STKYJARZFSVZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O2/c33-29(34-21-23-12-6-2-7-13-23)31-26-18-30-27-20-32(19-22-10-4-1-5-11-22)17-16-25(27)28(26)24-14-8-3-9-15-24/h1-15,18H,16-17,19-21H2,(H,31,33).
What are the key properties of benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate?
benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate has a molecular weight of 449.55 g/mol, XLogP of 6.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate is sourced from PubChem (CID 118411424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).