N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide

C19H24N4O2S — CID 119700058

IUPACN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)CCNCC1
InChIInChI=1S/C19H24N4O2S/c1-13-12-14(2)22-18(21-13)26-16-6-4-15(5-7-16)23-17(24)19(25-3)8-10-20-11-9-19/h4-7,12,20H,8-11H2,1-3H3,(H,23,24)
InChIKeyQPXCHJHJBKQAFW-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.95
Rot. Bonds5

About N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119700058) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119700058
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC NameN-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)CCNCC1
InChIInChI=1S/C19H24N4O2S/c1-13-12-14(2)22-18(21-13)26-16-6-4-15(5-7-16)23-17(24)19(25-3)8-10-20-11-9-19/h4-7,12,20H,8-11H2,1-3H3,(H,23,24)
InChIKeyQPXCHJHJBKQAFW-UHFFFAOYSA-N
XLogP2.95
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619522
4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119773920
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide
CID 119757450
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 119694020
ethyl 4-[(4-methoxypiperidine-4-carbonyl)amino]benzoate
CID 119672458
N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119704635
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide (CID 119700058) is N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)CCNCC1.
What is the InChIKey of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is QPXCHJHJBKQAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-13-12-14(2)22-18(21-13)26-16-6-4-15(5-7-16)23-17(24)19(25-3)8-10-20-11-9-19/h4-7,12,20H,8-11H2,1-3H3,(H,23,24).
What are the key properties of N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide?
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119700058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).