N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide

C23H24N6OS — CID 58727179

IUPACN-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide
SMILESO=C(NCCCNc1nsc2ccccc12)c1cccc(NCCc2cccnc2)n1
InChIInChI=1S/C23H24N6OS/c30-23(27-14-5-13-26-22-18-7-1-2-9-20(18)31-29-22)19-8-3-10-21(28-19)25-15-11-17-6-4-12-24-16-17/h1-4,6-10,12,16H,5,11,13-15H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyNNANSXPUJRSXLU-UHFFFAOYSA-N
MW432.55 g/mol
LogP3.97
Rot. Bonds10

About N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide

N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide (PubChem CID 58727179) has the molecular formula C23H24N6OS and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide
PubChem CID58727179
Molecular FormulaC23H24N6OS
Molecular Weight432.55 g/mol
Exact Mass432.17
IUPAC NameN-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide
SMILESO=C(NCCCNc1nsc2ccccc12)c1cccc(NCCc2cccnc2)n1
InChIInChI=1S/C23H24N6OS/c30-23(27-14-5-13-26-22-18-7-1-2-9-20(18)31-29-22)19-8-3-10-21(28-19)25-15-11-17-6-4-12-24-16-17/h1-4,6-10,12,16H,5,11,13-15H2,(H,25,28)(H,26,29)(H,27,30)
InChIKeyNNANSXPUJRSXLU-UHFFFAOYSA-N
XLogP3.97
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide with MolForge

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Related Compounds

6-(propylamino)-N-(2-pyridin-3-ylethyl)pyridine-2-carboxamide
CID 62240151
N-[3-(1,2-benzothiazol-3-ylamino)propyl]pyridine-2-carboxamide
CID 11855264
N-propyl-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 117080375
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide;hydrochloride
CID 86779906
N-[3-(1,2-benzothiazol-3-ylamino)propyl]-3-(6-chloro-3-pyridinyl)benzamide
CID 57436459
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-phenylpropanamide
CID 143285435
methyl 6-(2-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66456102
N-[2-(1,2-benzothiazol-3-ylamino)ethyl]-3-methylpyridine-2-carboxamide
CID 11856359
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 86779907
2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59738225
2-phenyl-N-(2-pyridin-3-ylethyl)-1,3-thiazole-4-carboxamide
CID 46546339

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide (CID 58727179) is N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide is O=C(NCCCNc1nsc2ccccc12)c1cccc(NCCc2cccnc2)n1.
What is the InChIKey of N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide?
The InChIKey is NNANSXPUJRSXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6OS/c30-23(27-14-5-13-26-22-18-7-1-2-9-20(18)31-29-22)19-8-3-10-21(28-19)25-15-11-17-6-4-12-24-16-17/h1-4,6-10,12,16H,5,11,13-15H2,(H,25,28)(H,26,29)(H,27,30).
What are the key properties of N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide?
N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 3.97, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-benzothiazol-3-ylamino)propyl]-6-(2-pyridin-3-ylethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58727179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).