2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide

C21H30N6O2S — CID 142289485

IUPAC2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide
SMILESCSN1CCC(Nc2ncc3cc(CC(N)=O)c(=O)n(C4CCCCC4)c3n2)CC1
InChIInChI=1S/C21H30N6O2S/c1-30-26-9-7-16(8-10-26)24-21-23-13-15-11-14(12-18(22)28)20(29)27(19(15)25-21)17-5-3-2-4-6-17/h11,13,16-17H,2-10,12H2,1H3,(H2,22,28)(H,23,24,25)
InChIKeyQPNZKAYAYNMFHW-UHFFFAOYSA-N
MW430.58 g/mol
LogP2.48
Rot. Bonds6

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

2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide (PubChem CID 142289485) has the molecular formula C21H30N6O2S and a molecular weight of 430.58 g/mol. Its IUPAC name is 2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide.

Molecular Properties

Compound Name2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide
PubChem CID142289485
Molecular FormulaC21H30N6O2S
Molecular Weight430.58 g/mol
Exact Mass430.22
IUPAC Name2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide
SMILESCSN1CCC(Nc2ncc3cc(CC(N)=O)c(=O)n(C4CCCCC4)c3n2)CC1
InChIInChI=1S/C21H30N6O2S/c1-30-26-9-7-16(8-10-26)24-21-23-13-15-11-14(12-18(22)28)20(29)27(19(15)25-21)17-5-3-2-4-6-17/h11,13,16-17H,2-10,12H2,1H3,(H2,22,28)(H,23,24,25)
InChIKeyQPNZKAYAYNMFHW-UHFFFAOYSA-N
XLogP2.48
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide with MolForge

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Related Compounds

2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide
CID 142289495
ethyl 2-[8-cyclopentyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetate
CID 134247619
8-cyclopentyl-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253054
8-cyclopentyl-2-[(2,2-dimethyl-1-methylsulfonylpiperidin-4-yl)amino]-6-(2-hydroxyethyl)pyrido[2,3-d]pyrimidin-7-one
CID 134247528
(8-cyclopentyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)methyl acetate
CID 11348177
8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458968
acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 143885415
8-(2,2-dimethylcyclopentyl)-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155572255
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
8-cyclopentyl-7-oxo-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458593
8-cyclopentyl-6-[(4-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-one
CID 58664273
2-[8-[(1R,2S)-2-methylcyclopentyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetonitrile
CID 134257184

Frequently Asked Questions

What is the IUPAC name of 2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide?
The IUPAC name of 2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide (CID 142289485) is 2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide.
What is the SMILES notation for 2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide?
The canonical SMILES for 2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide is CSN1CCC(Nc2ncc3cc(CC(N)=O)c(=O)n(C4CCCCC4)c3n2)CC1.
What is the InChIKey of 2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide?
The InChIKey is QPNZKAYAYNMFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O2S/c1-30-26-9-7-16(8-10-26)24-21-23-13-15-11-14(12-18(22)28)20(29)27(19(15)25-21)17-5-3-2-4-6-17/h11,13,16-17H,2-10,12H2,1H3,(H2,22,28)(H,23,24,25).
What are the key properties of 2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide?
2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide has a molecular weight of 430.58 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide is sourced from PubChem (CID 142289485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).