N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

C22H26N4O2S — CID 172657373

IUPACN-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)NCCCc1nc2ccccc2s1
InChIInChI=1S/C22H26N4O2S/c1-15-10-14-26(16-8-12-23-13-9-16)22(28)20(15)21(27)24-11-4-7-19-25-17-5-2-3-6-18(17)29-19/h2-3,5-6,10,14,16,23H,4,7-9,11-13H2,1H3,(H,24,27)
InChIKeyXORJRORNPONIIR-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.05
Rot. Bonds6

About N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 172657373) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
PubChem CID172657373
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
SMILESCc1ccn(C2CCNCC2)c(=O)c1C(=O)NCCCc1nc2ccccc2s1
InChIInChI=1S/C22H26N4O2S/c1-15-10-14-26(16-8-12-23-13-9-16)22(28)20(15)21(27)24-11-4-7-19-25-17-5-2-3-6-18(17)29-19/h2-3,5-6,10,14,16,23H,4,7-9,11-13H2,1H3,(H,24,27)
InChIKeyXORJRORNPONIIR-UHFFFAOYSA-N
XLogP3.05
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-fluorophenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
CID 172669654
N-[3-(1,3-benzothiazol-2-yl)propyl]-2,5-dimethylthiophene-3-carboxamide
CID 38901273
N-[2-(1,3-benzothiazol-2-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119692171
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-cyclopropyl-5-methyl-1H-pyrazole-4-carboxamide
CID 118780211
N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172910815
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 172910405
4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 172672451
N-[3-(1,3-benzothiazol-2-yl)propyl]-3-phenylbutanamide
CID 46432534
4-methyl-2-oxo-1-piperidin-4-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide;hydrochloride
CID 172909927
N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 38900942
1-(4-hydroxycyclohexyl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172666762
4-methyl-2-oxo-N-[(1R,2S)-2-phenylcyclopropyl]-1-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172910810

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (CID 172657373) is N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is Cc1ccn(C2CCNCC2)c(=O)c1C(=O)NCCCc1nc2ccccc2s1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The InChIKey is XORJRORNPONIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15-10-14-26(16-8-12-23-13-9-16)22(28)20(15)21(27)24-11-4-7-19-25-17-5-2-3-6-18(17)29-19/h2-3,5-6,10,14,16,23H,4,7-9,11-13H2,1H3,(H,24,27).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)propyl]-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 172657373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).