N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide

C17H21N5OS — CID 172900479

IUPACN-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide
SMILESCSc1nc(C)cc(N2CCC(NC(=O)c3ccncc3)CC2)n1
InChIInChI=1S/C17H21N5OS/c1-12-11-15(21-17(19-12)24-2)22-9-5-14(6-10-22)20-16(23)13-3-7-18-8-4-13/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,20,23)
InChIKeyRKLGSBYOKKRBOW-UHFFFAOYSA-N
MW343.46 g/mol
LogP2.30
Rot. Bonds4

About N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide

N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide (PubChem CID 172900479) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide
PubChem CID172900479
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC NameN-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide
SMILESCSc1nc(C)cc(N2CCC(NC(=O)c3ccncc3)CC2)n1
InChIInChI=1S/C17H21N5OS/c1-12-11-15(21-17(19-12)24-2)22-9-5-14(6-10-22)20-16(23)13-3-7-18-8-4-13/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,20,23)
InChIKeyRKLGSBYOKKRBOW-UHFFFAOYSA-N
XLogP2.30
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyridine-3-carboxamide
CID 71977383
N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyrimidine-4-carboxamide
CID 175649144
1,1,3-trimethyl-3-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]urea
CID 166603402
N-methyl-1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 172880710
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
N-[1-([1,3]thiazolo[4,5-c]pyridin-2-yl)piperidin-4-yl]pyridine-4-carboxamide
CID 172903534
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-5-methylthiophene-2-carboxamide
CID 49432411
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 126791611
N-cyclopentylpyridine-4-carboxamide
CID 4212000
4-fluoro-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91809824

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide (CID 172900479) is N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide is CSc1nc(C)cc(N2CCC(NC(=O)c3ccncc3)CC2)n1.
What is the InChIKey of N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is RKLGSBYOKKRBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-11-15(21-17(19-12)24-2)22-9-5-14(6-10-22)20-16(23)13-3-7-18-8-4-13/h3-4,7-8,11,14H,5-6,9-10H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide?
N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 172900479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).