N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide

C24H23ClN6OS — CID 54396352

IUPACN-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccnc1NC(c1ccncc1)C1CCNCC1
InChIInChI=1S/C24H23ClN6OS/c25-17-3-4-19-20(14-17)33-24(29-19)31-23(32)18-2-1-9-28-22(18)30-21(15-5-10-26-11-6-15)16-7-12-27-13-8-16/h1-6,9-11,14,16,21,27H,7-8,12-13H2,(H,28,30)(H,29,31,32)
InChIKeyVKFXFTFUWOGPSN-UHFFFAOYSA-N
MW479.01 g/mol
LogP5.14
Rot. Bonds6

About N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide

N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide (PubChem CID 54396352) has the molecular formula C24H23ClN6OS and a molecular weight of 479.01 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide
PubChem CID54396352
Molecular FormulaC24H23ClN6OS
Molecular Weight479.01 g/mol
Exact Mass478.13
IUPAC NameN-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide
SMILESO=C(Nc1nc2ccc(Cl)cc2s1)c1cccnc1NC(c1ccncc1)C1CCNCC1
InChIInChI=1S/C24H23ClN6OS/c25-17-3-4-19-20(14-17)33-24(29-19)31-23(32)18-2-1-9-28-22(18)30-21(15-5-10-26-11-6-15)16-7-12-27-13-8-16/h1-6,9-11,14,16,21,27H,7-8,12-13H2,(H,28,30)(H,29,31,32)
InChIKeyVKFXFTFUWOGPSN-UHFFFAOYSA-N
XLogP5.14
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.01
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

N-(6-chloro-3-pyridinyl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide
CID 23438711
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CID 23093729
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide
CID 70071023
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CID 22576739
2-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)pyridine-3-carboxamide
CID 3809613
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692949
3-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbenzamide
CID 29277984
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 4099366
2-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)-5-sulfanylbenzamide
CID 107020050

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide?
The IUPAC name of N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide (CID 54396352) is N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide is O=C(Nc1nc2ccc(Cl)cc2s1)c1cccnc1NC(c1ccncc1)C1CCNCC1.
What is the InChIKey of N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide?
The InChIKey is VKFXFTFUWOGPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6OS/c25-17-3-4-19-20(14-17)33-24(29-19)31-23(32)18-2-1-9-28-22(18)30-21(15-5-10-26-11-6-15)16-7-12-27-13-8-16/h1-6,9-11,14,16,21,27H,7-8,12-13H2,(H,28,30)(H,29,31,32).
What are the key properties of N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide?
N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide has a molecular weight of 479.01 g/mol, XLogP of 5.14, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzothiazol-2-yl)-2-[[piperidin-4-yl(pyridin-4-yl)methyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 54396352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).