N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide

C23H20N6O2S — CID 71681727

IUPACN-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide
SMILESNc1ccc(-c2cnc(NC(=O)CN(Cc3ccccc3)C(=O)c3ccncc3)s2)cn1
InChIInChI=1S/C23H20N6O2S/c24-20-7-6-18(12-26-20)19-13-27-23(32-19)28-21(30)15-29(14-16-4-2-1-3-5-16)22(31)17-8-10-25-11-9-17/h1-13H,14-15H2,(H2,24,26)(H,27,28,30)
InChIKeyUQGXIBZKHFGPLN-UHFFFAOYSA-N
MW444.52 g/mol
LogP3.46
Rot. Bonds7

About N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide

N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide (PubChem CID 71681727) has the molecular formula C23H20N6O2S and a molecular weight of 444.52 g/mol. Its IUPAC name is N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide
PubChem CID71681727
Molecular FormulaC23H20N6O2S
Molecular Weight444.52 g/mol
Exact Mass444.14
IUPAC NameN-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide
SMILESNc1ccc(-c2cnc(NC(=O)CN(Cc3ccccc3)C(=O)c3ccncc3)s2)cn1
InChIInChI=1S/C23H20N6O2S/c24-20-7-6-18(12-26-20)19-13-27-23(32-19)28-21(30)15-29(14-16-4-2-1-3-5-16)22(31)17-8-10-25-11-9-17/h1-13H,14-15H2,(H2,24,26)(H,27,28,30)
InChIKeyUQGXIBZKHFGPLN-UHFFFAOYSA-N
XLogP3.46
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.52
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide?
The IUPAC name of N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide (CID 71681727) is N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide?
The canonical SMILES for N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide is Nc1ccc(-c2cnc(NC(=O)CN(Cc3ccccc3)C(=O)c3ccncc3)s2)cn1.
What is the InChIKey of N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide?
The InChIKey is UQGXIBZKHFGPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6O2S/c24-20-7-6-18(12-26-20)19-13-27-23(32-19)28-21(30)15-29(14-16-4-2-1-3-5-16)22(31)17-8-10-25-11-9-17/h1-13H,14-15H2,(H2,24,26)(H,27,28,30).
What are the key properties of N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide?
N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide has a molecular weight of 444.52 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(6-amino-3-pyridinyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide is sourced from PubChem (CID 71681727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).