2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide

C15H20N6O2S — CID 142289495

IUPAC2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide
SMILESCSN1CCC(Nc2ncc3cc(CC(N)=O)c(=O)[nH]c3n2)CC1
InChIInChI=1S/C15H20N6O2S/c1-24-21-4-2-11(3-5-21)18-15-17-8-10-6-9(7-12(16)22)14(23)19-13(10)20-15/h6,8,11H,2-5,7H2,1H3,(H2,16,22)(H2,17,18,19,20,23)
InChIKeyCYIOWQFBCCXTTR-UHFFFAOYSA-N
MW348.43 g/mol
LogP0.50
Rot. Bonds5

About 2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide

2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide (PubChem CID 142289495) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide
PubChem CID142289495
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide
SMILESCSN1CCC(Nc2ncc3cc(CC(N)=O)c(=O)[nH]c3n2)CC1
InChIInChI=1S/C15H20N6O2S/c1-24-21-4-2-11(3-5-21)18-15-17-8-10-6-9(7-12(16)22)14(23)19-13(10)20-15/h6,8,11H,2-5,7H2,1H3,(H2,16,22)(H2,17,18,19,20,23)
InChIKeyCYIOWQFBCCXTTR-UHFFFAOYSA-N
XLogP0.50
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide
CID 142289485
4-fluorocyclohexan-1-ol;2-[(1-methylsulfanylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 142289513
cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 142289462
2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 142289469
methyl N-[4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexyl]carbamate
CID 23551842
N-(1-methylsulfanylpiperidin-4-yl)-8-pyrrolidin-1-ylquinazolin-2-amine
CID 170740161
N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 87987131
8-(2,2-dimethylcyclopentyl)-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155572255
ethyl 2-[8-cyclopentyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetate
CID 134247619
2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 134257312
8-(8,8-difluoro-6-azaspiro[3.4]octan-2-yl)-6-methyl-N-(1-methylsulfanylpiperidin-4-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 177186241
2-[4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 136974324

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide?
The IUPAC name of 2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide (CID 142289495) is 2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide.
What is the SMILES notation for 2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide?
The canonical SMILES for 2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide is CSN1CCC(Nc2ncc3cc(CC(N)=O)c(=O)[nH]c3n2)CC1.
What is the InChIKey of 2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide?
The InChIKey is CYIOWQFBCCXTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-24-21-4-2-11(3-5-21)18-15-17-8-10-6-9(7-12(16)22)14(23)19-13(10)20-15/h6,8,11H,2-5,7H2,1H3,(H2,16,22)(H2,17,18,19,20,23).
What are the key properties of 2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide?
2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide has a molecular weight of 348.43 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 142289495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).