[1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C26H36N6O2 — CID 163200280

IUPAC[1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1cc(C2CN(C)CCC2C(=O)N2Cc3nc(NC4CCOCC4)ncc3C[C@H]2C)ccn1
InChIInChI=1S/C26H36N6O2/c1-17-12-19(4-8-27-17)23-15-31(3)9-5-22(23)25(33)32-16-24-20(13-18(32)2)14-28-26(30-24)29-21-6-10-34-11-7-21/h4,8,12,14,18,21-23H,5-7,9-11,13,15-16H2,1-3H3,(H,28,29,30)/t18-,22?,23?/m1/s1
InChIKeyLWRJSVITUMBUQB-WDGBRCNXSA-N
MW464.61 g/mol
LogP2.78
Rot. Bonds4

About [1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

[1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 163200280) has the molecular formula C26H36N6O2 and a molecular weight of 464.61 g/mol. Its IUPAC name is [1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name[1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID163200280
Molecular FormulaC26H36N6O2
Molecular Weight464.61 g/mol
Exact Mass464.29
IUPAC Name[1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1cc(C2CN(C)CCC2C(=O)N2Cc3nc(NC4CCOCC4)ncc3C[C@H]2C)ccn1
InChIInChI=1S/C26H36N6O2/c1-17-12-19(4-8-27-17)23-15-31(3)9-5-22(23)25(33)32-16-24-20(13-18(32)2)14-28-26(30-24)29-21-6-10-34-11-7-21/h4,8,12,14,18,21-23H,5-7,9-11,13,15-16H2,1-3H3,(H,28,29,30)/t18-,22?,23?/m1/s1
InChIKeyLWRJSVITUMBUQB-WDGBRCNXSA-N
XLogP2.78
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of [1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 163200280) is [1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for [1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for [1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is Cc1cc(C2CN(C)CCC2C(=O)N2Cc3nc(NC4CCOCC4)ncc3C[C@H]2C)ccn1.
What is the InChIKey of [1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is LWRJSVITUMBUQB-WDGBRCNXSA-N. The full InChI is InChI=1S/C26H36N6O2/c1-17-12-19(4-8-27-17)23-15-31(3)9-5-22(23)25(33)32-16-24-20(13-18(32)2)14-28-26(30-24)29-21-6-10-34-11-7-21/h4,8,12,14,18,21-23H,5-7,9-11,13,15-16H2,1-3H3,(H,28,29,30)/t18-,22?,23?/m1/s1.
What are the key properties of [1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
[1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 464.61 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(2-methyl-4-pyridinyl)piperidin-4-yl]-[(6R)-6-methyl-2-(oxan-4-ylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 163200280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).