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

C22H21N3O2 — CID 129050640

IUPAC(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid
SMILESO=C(O)Nc1cnc2c(c1-c1ccccc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C22H21N3O2/c26-22(27)24-19-13-23-20-15-25(14-16-7-3-1-4-8-16)12-11-18(20)21(19)17-9-5-2-6-10-17/h1-10,13,24H,11-12,14-15H2,(H,26,27)
InChIKeyXZCFKWJCVVYZDW-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.40
Rot. Bonds4

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

(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid (PubChem CID 129050640) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid.

Molecular Properties

Compound Name(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid
PubChem CID129050640
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid
SMILESO=C(O)Nc1cnc2c(c1-c1ccccc1)CCN(Cc1ccccc1)C2
InChIInChI=1S/C22H21N3O2/c26-22(27)24-19-13-23-20-15-25(14-16-7-3-1-4-8-16)12-11-18(20)21(19)17-9-5-2-6-10-17/h1-10,13,24H,11-12,14-15H2,(H,26,27)
InChIKeyXZCFKWJCVVYZDW-UHFFFAOYSA-N
XLogP4.40
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate
CID 118411424
7-benzyl-4-phenyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 58378136
N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide
CID 143298615
2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 46507886
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-5-methylpyrazine-2-carboxamide
CID 18074462
2-(5-benzyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
CID 82588919
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
CID 135156525
2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine
CID 154448860
2,7-dibenzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137286146
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 53031244
N-[5-(1-benzyl-4-methyl-3,6-dihydro-2H-pyridin-5-yl)pyrazin-2-yl]acetamide
CID 59580385
N-(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)-3-(4-tert-butylphenyl)propanamide
CID 112533663

Frequently Asked Questions

What is the IUPAC name of (7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid?
The IUPAC name of (7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid (CID 129050640) is (7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid.
What is the SMILES notation for (7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid?
The canonical SMILES for (7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid is O=C(O)Nc1cnc2c(c1-c1ccccc1)CCN(Cc1ccccc1)C2.
What is the InChIKey of (7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid?
The InChIKey is XZCFKWJCVVYZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22(27)24-19-13-23-20-15-25(14-16-7-3-1-4-8-16)12-11-18(20)21(19)17-9-5-2-6-10-17/h1-10,13,24H,11-12,14-15H2,(H,26,27).
What are the key properties of (7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid?
(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid has a molecular weight of 359.43 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid is sourced from PubChem (CID 129050640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).