2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one

C20H23N5O2 — CID 175961168

IUPAC2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1cc(Nc2ncc3c(=O)[nH]ccc3n2)ccc1OC1CCN(C)CC1
InChIInChI=1S/C20H23N5O2/c1-13-11-14(3-4-18(13)27-15-6-9-25(2)10-7-15)23-20-22-12-16-17(24-20)5-8-21-19(16)26/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyVJCKILLQZYADDW-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.84
Rot. Bonds4

About 2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one

2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 175961168) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID175961168
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCc1cc(Nc2ncc3c(=O)[nH]ccc3n2)ccc1OC1CCN(C)CC1
InChIInChI=1S/C20H23N5O2/c1-13-11-14(3-4-18(13)27-15-6-9-25(2)10-7-15)23-20-22-12-16-17(24-20)5-8-21-19(16)26/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyVJCKILLQZYADDW-UHFFFAOYSA-N
XLogP2.84
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

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Related Compounds

2-ethynyl-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]benzoic acid
CID 91317630
[2-chloro-4-[[5-(1-methylpiperidin-4-yl)oxyquinazolin-2-yl]amino]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 91001590
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinazolin-2-amine
CID 175725425
3-[3-methyl-4-(1-methylpiperidin-4-yl)oxyphenyl]-3,5,7,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one
CID 67966104
N-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]-1H-indol-5-amine
CID 155411920
5-[[5-fluoro-4-[2-(1-methylpiperidin-4-yl)oxyanilino]pyrimidin-2-yl]amino]-2-methylbenzenesulfonamide
CID 130385114
N-[4-(difluoromethyl)phenyl]-7-(1-methylpiperidin-4-yl)oxy-6-(1,3-thiazol-2-yl)quinazolin-2-amine
CID 59325616
2-chloro-4-[(5-chloro-8-piperidin-4-yloxyquinazolin-2-yl)amino]benzoic acid
CID 59199229
3-(1-methylpiperidin-4-yl)oxy-5-[(6-methylquinazolin-2-yl)amino]benzamide
CID 70889751
8-cyclohexyl-5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 137436787
2-methyl-4-[[1-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]benzonitrile
CID 172628836
4-amino-3-(2,6-dichlorophenyl)-7-[4-(1-methylpiperidin-4-yl)oxyanilino]pyrimido[4,5-d]pyrimidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one (CID 175961168) is 2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one is Cc1cc(Nc2ncc3c(=O)[nH]ccc3n2)ccc1OC1CCN(C)CC1.
What is the InChIKey of 2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is VJCKILLQZYADDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-11-14(3-4-18(13)27-15-6-9-25(2)10-7-15)23-20-22-12-16-17(24-20)5-8-21-19(16)26/h3-5,8,11-12,15H,6-7,9-10H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of 2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one?
2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 365.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-(1-methylpiperidin-4-yl)oxyanilino]-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 175961168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).