N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide

C25H29N3O — CID 143298615

IUPACN-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide
SMILESO=C(CC12CC3CC1CC3C2)Nc1ccnc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H29N3O/c29-24(14-25-12-18-10-20(25)11-19(18)13-25)27-22-6-8-26-23-16-28(9-7-21(22)23)15-17-4-2-1-3-5-17/h1-6,8,18-20H,7,9-16H2,(H,26,27,29)
InChIKeyLAXRBFPOVNVLSR-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.40
Rot. Bonds5

About N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide

N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide (PubChem CID 143298615) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide.

Molecular Properties

Compound NameN-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide
PubChem CID143298615
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide
SMILESO=C(CC12CC3CC1CC3C2)Nc1ccnc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C25H29N3O/c29-24(14-25-12-18-10-20(25)11-19(18)13-25)27-22-6-8-26-23-16-28(9-7-21(22)23)15-17-4-2-1-3-5-17/h1-6,8,18-20H,7,9-16H2,(H,26,27,29)
InChIKeyLAXRBFPOVNVLSR-UHFFFAOYSA-N
XLogP4.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-adamantyl)-N-[7-[(4-imidazol-1-ylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663602
(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamic acid
CID 129050640
2-(1-adamantyl)-N-[7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 11847696
2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663566
benzyl N-(7-benzyl-4-phenyl-6,8-dihydro-5H-1,7-naphthyridin-3-yl)carbamate
CID 118411424
2-(1-adamantyl)-N-(2-benzyl-1-oxo-3,4-dihydroisoquinolin-5-yl)acetamide
CID 25063765
2-(1-adamantyl)-N-[7-[(5-phenylfuran-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 24856639
2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-methylphenyl)acetamide
CID 46507886
3-[[(7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]methyl]adamantan-1-ol
CID 59160101
2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide
CID 167951155
4-(2-azaspiro[3.3]heptan-6-yloxy)-6-benzyl-7,8-dihydro-5H-1,6-naphthyridine
CID 176923932
N-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 59663292

Frequently Asked Questions

What is the IUPAC name of N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide?
The IUPAC name of N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide (CID 143298615) is N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide.
What is the SMILES notation for N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide?
The canonical SMILES for N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide is O=C(CC12CC3CC1CC3C2)Nc1ccnc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide?
The InChIKey is LAXRBFPOVNVLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c29-24(14-25-12-18-10-20(25)11-19(18)13-25)27-22-6-8-26-23-16-28(9-7-21(22)23)15-17-4-2-1-3-5-17/h1-6,8,18-20H,7,9-16H2,(H,26,27,29).
What are the key properties of N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide?
N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide has a molecular weight of 387.53 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-benzyl-6,8-dihydro-5H-1,7-naphthyridin-4-yl)-2-(1-tricyclo[3.3.0.03,7]octanyl)acetamide is sourced from PubChem (CID 143298615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).