6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide

C21H28N4O2Si — CID 131733987

IUPAC—
SMILESCC(C)(C)[Si]OC(C)(C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C21H28N4O2Si/c1-20(2,3)28-27-21(4,5)17-10-16(11-23-13-17)15-9-14-7-6-8-25(19(22)26)18(14)24-12-15/h9-13H,6-8H2,1-5H3,(H2,22,26)
InChIKeyXVCUQLOJNYIOFO-UHFFFAOYSA-N
MW396.57 g/mol
LogP4.06
Rot. Bonds4

About 6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide

6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide (PubChem CID 131733987) has the molecular formula C21H28N4O2Si and a molecular weight of 396.57 g/mol.

Molecular Properties

Compound Name6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
PubChem CID131733987
Molecular FormulaC21H28N4O2Si
Molecular Weight396.57 g/mol
Exact Mass396.20
IUPAC Name—
SMILESCC(C)(C)[Si]OC(C)(C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C21H28N4O2Si/c1-20(2,3)28-27-21(4,5)17-10-16(11-23-13-17)15-9-14-7-6-8-25(19(22)26)18(14)24-12-15/h9-13H,6-8H2,1-5H3,(H2,22,26)
InChIKeyXVCUQLOJNYIOFO-UHFFFAOYSA-N
XLogP4.06
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.57
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 123837949
5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid
CID 86305668
6-(5-pyrimidin-5-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305266
6-(5-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305615
6-[5-[(2R)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 147740948
6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305422
6-[5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305318
6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86306011
6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 134592107
6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 134592130
6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 123552683
6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305759

Frequently Asked Questions

What is the IUPAC name of 6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide?
The IUPAC name of 6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide (CID 131733987) is not available.
What is the SMILES notation for 6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide?
The canonical SMILES for 6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide is CC(C)(C)[Si]OC(C)(C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide?
The InChIKey is XVCUQLOJNYIOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2Si/c1-20(2,3)28-27-21(4,5)17-10-16(11-23-13-17)15-9-14-7-6-8-25(19(22)26)18(14)24-12-15/h9-13H,6-8H2,1-5H3,(H2,22,26).
What are the key properties of 6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide?
6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide has a molecular weight of 396.57 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide is sourced from PubChem (CID 131733987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).