N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide

C15H17N5O3S — CID 10831510

IUPACN-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide
SMILESCc1cc(Nc2ccccn2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N
InChIInChI=1S/C15H17N5O3S/c1-9-7-11(19-13-5-3-4-6-18-13)12(24(2,22)23)8-10(9)14(21)20-15(16)17/h3-8H,1-2H3,(H,18,19)(H4,16,17,20,21)
InChIKeyPXXSCCRZKKNNIS-UHFFFAOYSA-N
MW347.40 g/mol
LogP0.95
Rot. Bonds4

About N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide

N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide (PubChem CID 10831510) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide
PubChem CID10831510
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC NameN-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide
SMILESCc1cc(Nc2ccccn2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N
InChIInChI=1S/C15H17N5O3S/c1-9-7-11(19-13-5-3-4-6-18-13)12(24(2,22)23)8-10(9)14(21)20-15(16)17/h3-8H,1-2H3,(H,18,19)(H4,16,17,20,21)
InChIKeyPXXSCCRZKKNNIS-UHFFFAOYSA-N
XLogP0.95
TPSA140.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

Eniporide
CID 6433092
n-Isopropyl-1-[3-(4-methylsulfonylphenyl)phenyl]-1,4-dihydro[1,8]naphthyridin-4-one-3-carboxamide
CID 10115569
5-(tert-butylsulfamoyl)-2-methyl-N-(5-methylpyridin-2-yl)benzamide
CID 16354321
N-(diaminomethylidene)-2-methyl-4-(2-methylimidazol-1-yl)-5-methylsulfonylbenzamide
CID 10592895
N-(diaminomethylidene)-2-methyl-4-(4-methylimidazol-1-yl)-5-methylsulfonylbenzamide
CID 10759231
N-(diaminomethylidene)-4-imidazol-1-yl-2-methyl-5-methylsulfonylbenzamide
CID 10782013
N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyrimidin-2-ylamino)benzamide
CID 11792006
US10450297, Example 77
CID 57584800
N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-3-methylsulfonylbenzamide
CID 86296892
N-(4-methyl-2-pyridinyl)-4-(phenylsulfonyl)benzamide
CID 1310235
N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)benzamide
CID 10740684
2-methyl-5-piperidin-1-ylsulfonyl-N-pyridin-2-ylbenzamide
CID 24687370

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide?
The IUPAC name of N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide (CID 10831510) is N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide.
What is the SMILES notation for N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide?
The canonical SMILES for N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide is Cc1cc(Nc2ccccn2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide?
The InChIKey is PXXSCCRZKKNNIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-9-7-11(19-13-5-3-4-6-18-13)12(24(2,22)23)8-10(9)14(21)20-15(16)17/h3-8H,1-2H3,(H,18,19)(H4,16,17,20,21).
What are the key properties of N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide?
N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide has a molecular weight of 347.40 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzamide is sourced from PubChem (CID 10831510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).