N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide

C19H23N5O3S — CID 135831373

IUPACN-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide
SMILESCC1CCN(C(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[nH]2)CC1
InChIInChI=1S/C19H23N5O3S/c1-12-7-9-24(10-8-12)14(25)11-28-19-22-16(20)15(18(27)23-19)21-17(26)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,21,26)(H3,20,22,23,27)
InChIKeyQMTQSRKDUJCMMI-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.96
Rot. Bonds5

About N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide

N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide (PubChem CID 135831373) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide
PubChem CID135831373
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide
SMILESCC1CCN(C(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[nH]2)CC1
InChIInChI=1S/C19H23N5O3S/c1-12-7-9-24(10-8-12)14(25)11-28-19-22-16(20)15(18(27)23-19)21-17(26)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,21,26)(H3,20,22,23,27)
InChIKeyQMTQSRKDUJCMMI-UHFFFAOYSA-N
XLogP1.96
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide with MolForge

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Related Compounds

N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 892629
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-fluorobenzamide
CID 3827619
2-(4-Hydroxyquinazolin-2-ylthio)-1-(4-methylpiperidyl)ethan-1-one
CID 135414573
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3H-quinazolin-4-one
CID 135519937
N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-N-(2-methylpropyl)-2-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
CID 135535523
3-Isobutyl-2-(2-oxo-2-piperidin-1-yl-ethylsulfanyl)-3H-quinazolin-4-one
CID 1075071
1'-{[(3-Ethyl-4-oxo-3,4-dihydro-2-quinazolinyl)thio]acetyl}-1,4'-bipiperidine-4'-carboxamide
CID 1307181
4-tert-butyl-N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2936726
N-[1-(4,5-Dihydro-thiazol-2-ylcarbamoyl)-2-methyl-propyl]-benzamide
CID 2942103
2-benzoyl-N-(4,5-dihydro-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 2997722
2-methyl-N-(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
CID 18891468
N-{2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetyl}benzamide
CID 135413606

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide?
The IUPAC name of N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide (CID 135831373) is N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide?
The canonical SMILES for N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide is CC1CCN(C(=O)CSc2nc(N)c(NC(=O)c3ccccc3)c(=O)[nH]2)CC1.
What is the InChIKey of N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide?
The InChIKey is QMTQSRKDUJCMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-12-7-9-24(10-8-12)14(25)11-28-19-22-16(20)15(18(27)23-19)21-17(26)13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H,21,26)(H3,20,22,23,27).
What are the key properties of N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide?
N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide has a molecular weight of 401.49 g/mol, XLogP of 1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]benzamide is sourced from PubChem (CID 135831373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).