N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide

C16H16N6OS — CID 155230450

IUPACN,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide
SMILESCc1cccnc1Nc1nc(-c2ccc(C(=O)N(C)C)cn2)ns1
InChIInChI=1S/C16H16N6OS/c1-10-5-4-8-17-13(10)19-16-20-14(21-24-16)12-7-6-11(9-18-12)15(23)22(2)3/h4-9H,1-3H3,(H,17,19,20,21)
InChIKeyZRGNVFLWEXJUJS-UHFFFAOYSA-N
MW340.41 g/mol
LogP2.75
Rot. Bonds4

About N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide

N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 155230450) has the molecular formula C16H16N6OS and a molecular weight of 340.41 g/mol. Its IUPAC name is N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide
PubChem CID155230450
Molecular FormulaC16H16N6OS
Molecular Weight340.41 g/mol
Exact Mass340.11
IUPAC NameN,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide
SMILESCc1cccnc1Nc1nc(-c2ccc(C(=O)N(C)C)cn2)ns1
InChIInChI=1S/C16H16N6OS/c1-10-5-4-8-17-13(10)19-16-20-14(21-24-16)12-7-6-11(9-18-12)15(23)22(2)3/h4-9H,1-3H3,(H,17,19,20,21)
InChIKeyZRGNVFLWEXJUJS-UHFFFAOYSA-N
XLogP2.75
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide (CID 155230450) is N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide is Cc1cccnc1Nc1nc(-c2ccc(C(=O)N(C)C)cn2)ns1.
What is the InChIKey of N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is ZRGNVFLWEXJUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6OS/c1-10-5-4-8-17-13(10)19-16-20-14(21-24-16)12-7-6-11(9-18-12)15(23)22(2)3/h4-9H,1-3H3,(H,17,19,20,21).
What are the key properties of N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide?
N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 340.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[5-[(3-methyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 155230450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).