N-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

C21H17N3O2S — CID 7597966

IUPACN-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccccc1Cn1cccc(C(=O)Nc2nc3ccccc3s2)c1=O
InChIInChI=1S/C21H17N3O2S/c1-14-7-2-3-8-15(14)13-24-12-6-9-16(20(24)26)19(25)23-21-22-17-10-4-5-11-18(17)27-21/h2-12H,13H2,1H3,(H,22,23,25)
InChIKeyDRQGKGFBVDCVSD-UHFFFAOYSA-N
MW375.45 g/mol
LogP4.07
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

N-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 7597966) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID7597966
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1ccccc1Cn1cccc(C(=O)Nc2nc3ccccc3s2)c1=O
InChIInChI=1S/C21H17N3O2S/c1-14-7-2-3-8-15(14)13-24-12-6-9-16(20(24)26)19(25)23-21-22-17-10-4-5-11-18(17)27-21/h2-12H,13H2,1H3,(H,22,23,25)
InChIKeyDRQGKGFBVDCVSD-UHFFFAOYSA-N
XLogP4.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 7597966) is N-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1ccccc1Cn1cccc(C(=O)Nc2nc3ccccc3s2)c1=O.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is DRQGKGFBVDCVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c1-14-7-2-3-8-15(14)13-24-12-6-9-16(20(24)26)19(25)23-21-22-17-10-4-5-11-18(17)27-21/h2-12H,13H2,1H3,(H,22,23,25).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 4.07, 4 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)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 7597966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).