N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide

C18H17N5OS — CID 59607029

IUPACN-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide
SMILESCc1nc(Sc2ccc(C(=O)Nc3cccnc3)cn2)nc(C)c1C
InChIInChI=1S/C18H17N5OS/c1-11-12(2)21-18(22-13(11)3)25-16-7-6-14(9-20-16)17(24)23-15-5-4-8-19-10-15/h4-10H,1-3H3,(H,23,24)
InChIKeyRPUJECDUMQZYHG-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.60
Rot. Bonds4

About N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide

N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide (PubChem CID 59607029) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide
PubChem CID59607029
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC NameN-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide
SMILESCc1nc(Sc2ccc(C(=O)Nc3cccnc3)cn2)nc(C)c1C
InChIInChI=1S/C18H17N5OS/c1-11-12(2)21-18(22-13(11)3)25-16-7-6-14(9-20-16)17(24)23-15-5-4-8-19-10-15/h4-10H,1-3H3,(H,23,24)
InChIKeyRPUJECDUMQZYHG-UHFFFAOYSA-N
XLogP3.60
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide?
The IUPAC name of N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide (CID 59607029) is N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide is Cc1nc(Sc2ccc(C(=O)Nc3cccnc3)cn2)nc(C)c1C.
What is the InChIKey of N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide?
The InChIKey is RPUJECDUMQZYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-11-12(2)21-18(22-13(11)3)25-16-7-6-14(9-20-16)17(24)23-15-5-4-8-19-10-15/h4-10H,1-3H3,(H,23,24).
What are the key properties of N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide?
N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 59607029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).