4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide

C18H20N6OS — CID 26399916

IUPAC4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cccnc1N(C)CCc1ccccn1
InChIInChI=1S/C18H20N6OS/c1-13-16(26-23-22-13)18(25)21-12-14-6-5-10-20-17(14)24(2)11-8-15-7-3-4-9-19-15/h3-7,9-10H,8,11-12H2,1-2H3,(H,21,25)
InChIKeyYAWRNHQHYVITEU-UHFFFAOYSA-N
MW368.47 g/mol
LogP2.25
Rot. Bonds7

About 4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide

4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide (PubChem CID 26399916) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide
PubChem CID26399916
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide
SMILESCc1nnsc1C(=O)NCc1cccnc1N(C)CCc1ccccn1
InChIInChI=1S/C18H20N6OS/c1-13-16(26-23-22-13)18(25)21-12-14-6-5-10-20-17(14)24(2)11-8-15-7-3-4-9-19-15/h3-7,9-10H,8,11-12H2,1-2H3,(H,21,25)
InChIKeyYAWRNHQHYVITEU-UHFFFAOYSA-N
XLogP2.25
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-chloro-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 26390821
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]acetamide
CID 56714693
N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 56718337
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 122354245
4-methyl-N-[(2-methylphenyl)methyl]-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389297
4-methyl-N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 90569617
5,6-dimethyl-3-[methyl(2-pyridin-2-ylethyl)amino]pyridazine-4-carboxylic acid
CID 62702160
3-N-[(2-methylphenyl)methyl]-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105096
N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
CID 56738405
4-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)thiadiazole-5-carboxamide
CID 100746847
N-[(4-methoxyphenyl)methyl]-4-methylthiadiazole-5-carboxamide
CID 7576735
N-[2-(2-fluorophenyl)ethyl]-4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 110389314

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide (CID 26399916) is 4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide is Cc1nnsc1C(=O)NCc1cccnc1N(C)CCc1ccccn1.
What is the InChIKey of 4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide?
The InChIKey is YAWRNHQHYVITEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-13-16(26-23-22-13)18(25)21-12-14-6-5-10-20-17(14)24(2)11-8-15-7-3-4-9-19-15/h3-7,9-10H,8,11-12H2,1-2H3,(H,21,25).
What are the key properties of 4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide?
4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-[methyl(2-pyridin-2-ylethyl)amino]-3-pyridinyl]methyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 26399916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).