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

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Related Compounds

4-[6-[(5-acetamido-3-pyridinyl)amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 142612561
N,N-dimethyl-4-[6-[(2-methyl-3-pyridinyl)amino]-3-pyridinyl]benzamide
CID 142612695
4-[6-[[5-[(2-cyanoacetyl)amino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 142612601
4-[6-[[5-[3-(3-acetamidophenyl)propanoylamino]-3-pyridinyl]amino]-3-pyridinyl]-N,N-dimethylbenzamide
CID 175076884
[3-[3-[[5-[[5-[4-(dimethylcarbamoyl)phenyl]-2-pyridinyl]amino]-3-pyridinyl]amino]-3-oxopropyl]phenyl]carbamic acid
CID 155225827
N-benzyl-6-(3-chloroanilino)-N-methylpyridine-3-carboxamide
CID 109156379
ethane;(E)-N-methyl-N-(pyridin-3-ylmethyl)but-2-en-2-amine;(E)-N-methyl-N-(1,3-thiazol-5-ylmethyl)but-2-en-2-amine
CID 158173480
N-methyl-1-pyridin-3-yl-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 76540758
N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide
CID 159911206
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-3-carboxamide
CID 78792336
5-(4,5-dimethylpyrimidin-2-yl)-N-pyridin-3-ylpyridin-2-amine;formamide
CID 175077359

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).