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

C24H22N6O2S — CID 71681728

IUPACN-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide
SMILESCc1nc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)sc1-c1ccc(N)nc1
InChIInChI=1S/C24H22N6O2S/c1-16-22(19-7-8-20(25)27-13-19)33-24(28-16)29-21(31)15-30(14-17-5-3-2-4-6-17)23(32)18-9-11-26-12-10-18/h2-13H,14-15H2,1H3,(H2,25,27)(H,28,29,31)
InChIKeyBLLVQWSTMVRWIG-UHFFFAOYSA-N
MW458.55 g/mol
LogP3.77
Rot. Bonds7

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

N-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide (PubChem CID 71681728) has the molecular formula C24H22N6O2S and a molecular weight of 458.55 g/mol. Its IUPAC name is N-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide
PubChem CID71681728
Molecular FormulaC24H22N6O2S
Molecular Weight458.55 g/mol
Exact Mass458.15
IUPAC NameN-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide
SMILESCc1nc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)sc1-c1ccc(N)nc1
InChIInChI=1S/C24H22N6O2S/c1-16-22(19-7-8-20(25)27-13-19)33-24(28-16)29-21(31)15-30(14-17-5-3-2-4-6-17)23(32)18-9-11-26-12-10-18/h2-13H,14-15H2,1H3,(H2,25,27)(H,28,29,31)
InChIKeyBLLVQWSTMVRWIG-UHFFFAOYSA-N
XLogP3.77
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide?
The IUPAC name of N-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide (CID 71681728) is N-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-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)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide?
The canonical SMILES for N-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide is Cc1nc(NC(=O)CN(Cc2ccccc2)C(=O)c2ccncc2)sc1-c1ccc(N)nc1.
What is the InChIKey of N-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide?
The InChIKey is BLLVQWSTMVRWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S/c1-16-22(19-7-8-20(25)27-13-19)33-24(28-16)29-21(31)15-30(14-17-5-3-2-4-6-17)23(32)18-9-11-26-12-10-18/h2-13H,14-15H2,1H3,(H2,25,27)(H,28,29,31).
What are the key properties of N-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide?
N-[2-[[5-(6-amino-3-pyridinyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide has a molecular weight of 458.55 g/mol, XLogP of 3.77, 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)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-benzylpyridine-4-carboxamide is sourced from PubChem (CID 71681728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).