acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one

C21H32N6O2 — CID 143885415

IUPACacetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(N)=O.Nc1cc(=O)n(C2CCCCC2)c2nc(NC3CCCCC3)ncc12
InChIInChI=1S/C19H27N5O.C2H5NO/c20-16-11-17(25)24(14-9-5-2-6-10-14)18-15(16)12-21-19(23-18)22-13-7-3-1-4-8-13;1-2(3)4/h11-14H,1-10,20H2,(H,21,22,23);1H3,(H2,3,4)
InChIKeyDWVFGSQCGHSONN-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.12
Rot. Bonds3

About acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one

acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 143885415) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Nameacetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID143885415
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC Nameacetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(N)=O.Nc1cc(=O)n(C2CCCCC2)c2nc(NC3CCCCC3)ncc12
InChIInChI=1S/C19H27N5O.C2H5NO/c20-16-11-17(25)24(14-9-5-2-6-10-14)18-15(16)12-21-19(23-18)22-13-7-3-1-4-8-13;1-2(3)4/h11-14H,1-10,20H2,(H,21,22,23);1H3,(H2,3,4)
InChIKeyDWVFGSQCGHSONN-UHFFFAOYSA-N
XLogP3.12
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-8-cyclohexyl-2-(hexan-2-ylamino)pyrido[2,3-d]pyrimidin-7-one
CID 143885421
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
5-amino-8-cyclohexyl-2-[(6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 177309638
2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide
CID 142289485
5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 70952939
8-cyclopentyl-5-methyl-2-methylsulfinylpyrido[2,3-d]pyrimidin-7-one
CID 11483180
4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride
CID 164557559
9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one
CID 177341135
8-cyclopentyl-2-[[1-(3-hydroxyazetidin-1-yl)sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166904007
ethyl 2-[8-cyclopentyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetate
CID 134247619
2-(cyclohexylamino)-4-(cyclopentylamino)pyrimidine-5-carboxamide
CID 71237540
8-cyclopentyl-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253054

Frequently Asked Questions

What is the IUPAC name of acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one (CID 143885415) is acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one is CC(N)=O.Nc1cc(=O)n(C2CCCCC2)c2nc(NC3CCCCC3)ncc12.
What is the InChIKey of acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DWVFGSQCGHSONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O.C2H5NO/c20-16-11-17(25)24(14-9-5-2-6-10-14)18-15(16)12-21-19(23-18)22-13-7-3-1-4-8-13;1-2(3)4/h11-14H,1-10,20H2,(H,21,22,23);1H3,(H2,3,4).
What are the key properties of acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one?
acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 400.53 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 143885415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).