N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

C17H16N4OS — CID 112528118

IUPACN-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCN1CCc2c(cncc2C(=O)Nc2nc3ccccc3s2)C1
InChIInChI=1S/C17H16N4OS/c1-21-7-6-12-11(10-21)8-18-9-13(12)16(22)20-17-19-14-4-2-3-5-15(14)23-17/h2-5,8-9H,6-7,10H2,1H3,(H,19,20,22)
InChIKeyYIRRHHKVOIXGMX-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.93
Rot. Bonds2

About N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide

N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (PubChem CID 112528118) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
PubChem CID112528118
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
SMILESCN1CCc2c(cncc2C(=O)Nc2nc3ccccc3s2)C1
InChIInChI=1S/C17H16N4OS/c1-21-7-6-12-11(10-21)8-18-9-13(12)16(22)20-17-19-14-4-2-3-5-15(14)23-17/h2-5,8-9H,6-7,10H2,1H3,(H,19,20,22)
InChIKeyYIRRHHKVOIXGMX-UHFFFAOYSA-N
XLogP2.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 35294982
7-methyl-N-[2-(2-methylphenyl)ethyl]-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112529239
7-methyl-N-(2-pyridin-3-ylethyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112530338
N-(1,3-benzothiazol-2-yl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 51054043
N-(1,3-benzothiazol-2-yl)-4-(ethylamino)pyridine-3-carboxamide
CID 81238546
N-(1,3-benzothiazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 110467037
7-acetyl-N-(1,3-benzoxazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112528186
2-amino-N-(1,3-benzothiazol-2-yl)benzamide
CID 828314
N-(1,3-benzothiazol-2-yl)-5-(2,5-dimethylpyrrol-1-yl)-1-methylpyrazole-4-carboxamide
CID 60582528
7-acetyl-N-(1H-benzimidazol-2-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide
CID 112528023
N-(1,3-benzothiazol-2-yl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025247
N-(1,3-benzothiazol-2-yl)-1,3-benzothiazole-2-carboxamide
CID 86264452

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide (CID 112528118) is N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is CN1CCc2c(cncc2C(=O)Nc2nc3ccccc3s2)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
The InChIKey is YIRRHHKVOIXGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-21-7-6-12-11(10-21)8-18-9-13(12)16(22)20-17-19-14-4-2-3-5-15(14)23-17/h2-5,8-9H,6-7,10H2,1H3,(H,19,20,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-7-methyl-6,8-dihydro-5H-2,7-naphthyridine-4-carboxamide is sourced from PubChem (CID 112528118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).