6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide

C17H16N6O3S — CID 59607082

IUPAC6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCOc1nc(OC)nc(Sc2ccc(C(=O)N(C)c3cccnc3)cn2)n1
InChIInChI=1S/C17H16N6O3S/c1-23(12-5-4-8-18-10-12)14(24)11-6-7-13(19-9-11)27-17-21-15(25-2)20-16(22-17)26-3/h4-10H,1-3H3
InChIKeyRUWIAJOIGPNTRA-UHFFFAOYSA-N
MW384.42 g/mol
LogP2.11
Rot. Bonds6

About 6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide

6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 59607082) has the molecular formula C17H16N6O3S and a molecular weight of 384.42 g/mol. Its IUPAC name is 6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide
PubChem CID59607082
Molecular FormulaC17H16N6O3S
Molecular Weight384.42 g/mol
Exact Mass384.10
IUPAC Name6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCOc1nc(OC)nc(Sc2ccc(C(=O)N(C)c3cccnc3)cn2)n1
InChIInChI=1S/C17H16N6O3S/c1-23(12-5-4-8-18-10-12)14(24)11-6-7-13(19-9-11)27-17-21-15(25-2)20-16(22-17)26-3/h4-10H,1-3H3
InChIKeyRUWIAJOIGPNTRA-UHFFFAOYSA-N
XLogP2.11
TPSA103.22 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide (CID 59607082) is 6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide is COc1nc(OC)nc(Sc2ccc(C(=O)N(C)c3cccnc3)cn2)n1.
What is the InChIKey of 6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is RUWIAJOIGPNTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O3S/c1-23(12-5-4-8-18-10-12)14(24)11-6-7-13(19-9-11)27-17-21-15(25-2)20-16(22-17)26-3/h4-10H,1-3H3.
What are the key properties of 6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide?
6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 384.42 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]-N-methyl-N-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 59607082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).