N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide

C22H19N5OS — CID 142612463

IUPACN-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESCN(Cc1cncs1)C(=O)c1ccc(-c2ccc(Nc3cccnc3)nc2)cc1
InChIInChI=1S/C22H19N5OS/c1-27(14-20-13-24-15-29-20)22(28)17-6-4-16(5-7-17)18-8-9-21(25-11-18)26-19-3-2-10-23-12-19/h2-13,15H,14H2,1H3,(H,25,26)
InChIKeyJHDQGAFYVXEGHL-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.62
Rot. Bonds6

About N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide

N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide (PubChem CID 142612463) has the molecular formula C22H19N5OS and a molecular weight of 401.50 g/mol. Its IUPAC name is N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide
PubChem CID142612463
Molecular FormulaC22H19N5OS
Molecular Weight401.50 g/mol
Exact Mass401.13
IUPAC NameN-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide
SMILESCN(Cc1cncs1)C(=O)c1ccc(-c2ccc(Nc3cccnc3)nc2)cc1
InChIInChI=1S/C22H19N5OS/c1-27(14-20-13-24-15-29-20)22(28)17-6-4-16(5-7-17)18-8-9-21(25-11-18)26-19-3-2-10-23-12-19/h2-13,15H,14H2,1H3,(H,25,26)
InChIKeyJHDQGAFYVXEGHL-UHFFFAOYSA-N
XLogP4.62
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide 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-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide?
The IUPAC name of N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide (CID 142612463) is N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide?
The canonical SMILES for N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide is CN(Cc1cncs1)C(=O)c1ccc(-c2ccc(Nc3cccnc3)nc2)cc1.
What is the InChIKey of N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide?
The InChIKey is JHDQGAFYVXEGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5OS/c1-27(14-20-13-24-15-29-20)22(28)17-6-4-16(5-7-17)18-8-9-21(25-11-18)26-19-3-2-10-23-12-19/h2-13,15H,14H2,1H3,(H,25,26).
What are the key properties of N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide?
N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide has a molecular weight of 401.50 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[6-(pyridin-3-ylamino)-3-pyridinyl]-N-(1,3-thiazol-5-ylmethyl)benzamide is sourced from PubChem (CID 142612463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).