N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C20H17N7OS — CID 112811666

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(-n4cncn4)nc3)cc2)n1
InChIInChI=1S/C20H17N7OS/c1-13-9-14(2)25-20(24-13)29-17-6-4-16(5-7-17)26-19(28)15-3-8-18(22-10-15)27-12-21-11-23-27/h3-12H,1-2H3,(H,26,28)
InChIKeyHNQMZLFBUNEBHH-UHFFFAOYSA-N
MW403.47 g/mol
LogP3.47
Rot. Bonds5

About N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 112811666) has the molecular formula C20H17N7OS and a molecular weight of 403.47 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID112811666
Molecular FormulaC20H17N7OS
Molecular Weight403.47 g/mol
Exact Mass403.12
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESCc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(-n4cncn4)nc3)cc2)n1
InChIInChI=1S/C20H17N7OS/c1-13-9-14(2)25-20(24-13)29-17-6-4-16(5-7-17)26-19(28)15-3-8-18(22-10-15)27-12-21-11-23-27/h3-12H,1-2H3,(H,26,28)
InChIKeyHNQMZLFBUNEBHH-UHFFFAOYSA-N
XLogP3.47
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.47
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-methoxypyridine-3-carboxamide
CID 30703297
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-fluorobenzamide
CID 24591939
N-(1H-pyrazol-4-yl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43429763
4-methylsulfonyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 25344012
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 52946876
N-[2-(ethylamino)ethyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 119507752
N-cyano-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 79194159
4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide
CID 4548878
N-(2-hydroxyethyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
CID 43416525
6-(1,2,4-triazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 103725935
2-(1,2,4-triazol-1-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 47071207
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate
CID 95323379

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 112811666) is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(-n4cncn4)nc3)cc2)n1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is HNQMZLFBUNEBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7OS/c1-13-9-14(2)25-20(24-13)29-17-6-4-16(5-7-17)26-19(28)15-3-8-18(22-10-15)27-12-21-11-23-27/h3-12H,1-2H3,(H,26,28).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 403.47 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 112811666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).