7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one

C21H26N6O — CID 70209396

IUPAC7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one
SMILESCN(C)C1CCN(c2ccc(Nc3cc4c(cn3)cnc(=O)n4C)cc2)CC1
InChIInChI=1S/C21H26N6O/c1-25(2)17-8-10-27(11-9-17)18-6-4-16(5-7-18)24-20-12-19-15(13-22-20)14-23-21(28)26(19)3/h4-7,12-14,17H,8-11H2,1-3H3,(H,22,24)
InChIKeyNQCACCCFJVFCFY-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.60
Rot. Bonds4

About 7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one

7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one (PubChem CID 70209396) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one
PubChem CID70209396
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one
SMILESCN(C)C1CCN(c2ccc(Nc3cc4c(cn3)cnc(=O)n4C)cc2)CC1
InChIInChI=1S/C21H26N6O/c1-25(2)17-8-10-27(11-9-17)18-6-4-16(5-7-18)24-20-12-19-15(13-22-20)14-23-21(28)26(19)3/h4-7,12-14,17H,8-11H2,1-3H3,(H,22,24)
InChIKeyNQCACCCFJVFCFY-UHFFFAOYSA-N
XLogP2.60
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124727
7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one
CID 68859807
7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one
CID 22124851
1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 46701507
N-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 171729690
1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124675
1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 22124688
1-cyclopentyl-7-(4-morpholin-4-ylanilino)-1,6-naphthyridin-2-one
CID 46701508
methyl 2-[4-[4-(dimethylamino)piperidin-1-yl]anilino]pyrimidine-5-carboxylate
CID 167777879
3-(2,6-dichlorophenyl)-7-[4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-1-methyl-1,6-naphthyridin-2-one
CID 167119046
7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one
CID 22124813
1-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 22124642

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one (CID 70209396) is 7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one is CN(C)C1CCN(c2ccc(Nc3cc4c(cn3)cnc(=O)n4C)cc2)CC1.
What is the InChIKey of 7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one?
The InChIKey is NQCACCCFJVFCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-25(2)17-8-10-27(11-9-17)18-6-4-16(5-7-18)24-20-12-19-15(13-22-20)14-23-21(28)26(19)3/h4-7,12-14,17H,8-11H2,1-3H3,(H,22,24).
What are the key properties of 7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one?
7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one has a molecular weight of 378.48 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 70209396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).