6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C17H17N5OS — CID 56795561

IUPAC6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccccc1CN(C)c1ccc(C(=O)Nc2nncs2)cn1
InChIInChI=1S/C17H17N5OS/c1-12-5-3-4-6-14(12)10-22(2)15-8-7-13(9-18-15)16(23)20-17-21-19-11-24-17/h3-9,11H,10H2,1-2H3,(H,20,21,23)
InChIKeyPQZWLFNTCSTLEU-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.13
Rot. Bonds5

About 6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 56795561) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID56795561
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCc1ccccc1CN(C)c1ccc(C(=O)Nc2nncs2)cn1
InChIInChI=1S/C17H17N5OS/c1-12-5-3-4-6-14(12)10-22(2)15-8-7-13(9-18-15)16(23)20-17-21-19-11-24-17/h3-9,11H,10H2,1-2H3,(H,20,21,23)
InChIKeyPQZWLFNTCSTLEU-UHFFFAOYSA-N
XLogP3.13
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[methyl(2-methylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339216
6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 61411567
6-[3-acetamidopropyl(methyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339834
6-[bis(cyclopropylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339682
6-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133350945
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
3,4-dimethyl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 739253
6-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpyridazine-3-carboxamide
CID 133313290
6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133346016
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329
6-[(2-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 61420530
6-[[2-(4-chlorophenyl)phenyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343631

Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 56795561) is 6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is Cc1ccccc1CN(C)c1ccc(C(=O)Nc2nncs2)cn1.
What is the InChIKey of 6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is PQZWLFNTCSTLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-12-5-3-4-6-14(12)10-22(2)15-8-7-13(9-18-15)16(23)20-17-21-19-11-24-17/h3-9,11H,10H2,1-2H3,(H,20,21,23).
What are the key properties of 6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(2-methylphenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 56795561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).