(3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide

C19H22N4O2S — CID 8731392

IUPAC(3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)N2CCC[C@H](C(N)=O)C2)n1
InChIInChI=1S/C19H22N4O2S/c1-13-10-16(14-6-3-2-4-7-14)22-19(21-13)26-12-17(24)23-9-5-8-15(11-23)18(20)25/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H2,20,25)/t15-/m0/s1
InChIKeyYGKJUNZKYJWNND-HNNXBMFYSA-N
MW370.48 g/mol
LogP2.27
Rot. Bonds5

About (3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide

(3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide (PubChem CID 8731392) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is (3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
PubChem CID8731392
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name(3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
SMILESCc1cc(-c2ccccc2)nc(SCC(=O)N2CCC[C@H](C(N)=O)C2)n1
InChIInChI=1S/C19H22N4O2S/c1-13-10-16(14-6-3-2-4-7-14)22-19(21-13)26-12-17(24)23-9-5-8-15(11-23)18(20)25/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H2,20,25)/t15-/m0/s1
InChIKeyYGKJUNZKYJWNND-HNNXBMFYSA-N
XLogP2.27
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 60705262
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
CID 8729972
(3S)-1-[2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-3-carboxamide
CID 8582066
1-[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]piperidine-3-carboxamide
CID 17434076
1-(azepan-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 56731932
(3R)-1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide
CID 9118937
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8731458
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-1-(azocan-1-yl)ethanone
CID 51073353
1-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone
CID 41105090
2-[[5-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 3167551
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 119412728
(3S)-1-[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
CID 126432128

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide (CID 8731392) is (3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide is Cc1cc(-c2ccccc2)nc(SCC(=O)N2CCC[C@H](C(N)=O)C2)n1.
What is the InChIKey of (3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide?
The InChIKey is YGKJUNZKYJWNND-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-13-10-16(14-6-3-2-4-7-14)22-19(21-13)26-12-17(24)23-9-5-8-15(11-23)18(20)25/h2-4,6-7,10,15H,5,8-9,11-12H2,1H3,(H2,20,25)/t15-/m0/s1.
What are the key properties of (3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide?
(3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxamide is sourced from PubChem (CID 8731392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).