N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

C23H33N5O2 — CID 42319589

IUPACN-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)CC(C)(C)C)C3)n(C)n1
InChIInChI=1S/C23H33N5O2/c1-7-17-10-20(27(6)26-17)22(30)25-13-19-15(2)24-12-16-14-28(9-8-18(16)19)21(29)11-23(3,4)5/h10,12H,7-9,11,13-14H2,1-6H3,(H,25,30)
InChIKeyXSQLFSMKBVCQDH-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.94
Rot. Bonds5

About N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide

N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 42319589) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID42319589
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)CC(C)(C)C)C3)n(C)n1
InChIInChI=1S/C23H33N5O2/c1-7-17-10-20(27(6)26-17)22(30)25-13-19-15(2)24-12-16-14-28(9-8-18(16)19)21(29)11-23(3,4)5/h10,12H,7-9,11,13-14H2,1-6H3,(H,25,30)
InChIKeyXSQLFSMKBVCQDH-UHFFFAOYSA-N
XLogP2.94
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide (CID 42319589) is N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NCc2c(C)ncc3c2CCN(C(=O)CC(C)(C)C)C3)n(C)n1.
What is the InChIKey of N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is XSQLFSMKBVCQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-7-17-10-20(27(6)26-17)22(30)25-13-19-15(2)24-12-16-14-28(9-8-18(16)19)21(29)11-23(3,4)5/h10,12H,7-9,11,13-14H2,1-6H3,(H,25,30).
What are the key properties of N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide?
N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 411.55 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(3,3-dimethylbutanoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 42319589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).