2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C23H26N6O4S — CID 164750890

IUPAC2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCNc1nc2cc(C3CCC(C)CN3C(=O)C(=O)Nc3cnc(OC)c(C(N)=O)c3)ccc2s1
InChIInChI=1S/C23H26N6O4S/c1-12-4-6-17(13-5-7-18-16(8-13)28-23(25-2)34-18)29(11-12)22(32)20(31)27-14-9-15(19(24)30)21(33-3)26-10-14/h5,7-10,12,17H,4,6,11H2,1-3H3,(H2,24,30)(H,25,28)(H,27,31)
InChIKeyPNUUYNUUGBVFCF-UHFFFAOYSA-N
MW482.57 g/mol
LogP2.78
Rot. Bonds5

About 2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 164750890) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is 2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID164750890
Molecular FormulaC23H26N6O4S
Molecular Weight482.57 g/mol
Exact Mass482.17
IUPAC Name2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCNc1nc2cc(C3CCC(C)CN3C(=O)C(=O)Nc3cnc(OC)c(C(N)=O)c3)ccc2s1
InChIInChI=1S/C23H26N6O4S/c1-12-4-6-17(13-5-7-18-16(8-13)28-23(25-2)34-18)29(11-12)22(32)20(31)27-14-9-15(19(24)30)21(33-3)26-10-14/h5,7-10,12,17H,4,6,11H2,1-3H3,(H2,24,30)(H,25,28)(H,27,31)
InChIKeyPNUUYNUUGBVFCF-UHFFFAOYSA-N
XLogP2.78
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[3-(1,3-Benzothiazol-2-ylamino)cyclobutyl]oxy-3-pyridinyl]pyridine-2-carboxamide
CID 54669872
2-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 86766336
N-[3-[[2-[(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-2-oxoethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 87871296
US11306081, Example 025
CID 156381129
US11306081, Example 024
CID 164607386
US11306081, Example 065
CID 156381141
5-[[2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164750633
(2-Methoxypyridin-3-yl)(4-(4-(trifluoromethyl)benzo[d]thiazol-2-yl)piperazin-1-yl)methanone
CID 71796372
2-[4-[(6-Fluoro-1,3-benzothiazol-2-yl)amino]cyclohexyl]oxypyridine-3-carboxamide
CID 146622322
5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155146662
5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155146677
5-[2-(cyclopropanecarbonylamino)-1,3-benzothiazol-6-yl]-2-methoxy-N-[(1S)-1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155146691

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 164750890) is 2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is CNc1nc2cc(C3CCC(C)CN3C(=O)C(=O)Nc3cnc(OC)c(C(N)=O)c3)ccc2s1.
What is the InChIKey of 2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is PNUUYNUUGBVFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-12-4-6-17(13-5-7-18-16(8-13)28-23(25-2)34-18)29(11-12)22(32)20(31)27-14-9-15(19(24)30)21(33-3)26-10-14/h5,7-10,12,17H,4,6,11H2,1-3H3,(H2,24,30)(H,25,28)(H,27,31).
What are the key properties of 2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 482.57 g/mol, XLogP of 2.78, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-[5-methyl-2-[2-(methylamino)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 164750890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).