[4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone

C20H26N6O — CID 56868340

IUPAC[4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2c(ncnc2NCCN2CCCCC2)C1
InChIInChI=1S/C20H26N6O/c27-20(16-5-4-7-21-13-16)26-11-6-17-18(14-26)23-15-24-19(17)22-8-12-25-9-2-1-3-10-25/h4-5,7,13,15H,1-3,6,8-12,14H2,(H,22,23,24)
InChIKeyUOLZIGSKRRBPAL-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.97
Rot. Bonds5

About [4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone

[4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone (PubChem CID 56868340) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is [4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
PubChem CID56868340
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name[4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCc2c(ncnc2NCCN2CCCCC2)C1
InChIInChI=1S/C20H26N6O/c27-20(16-5-4-7-21-13-16)26-11-6-17-18(14-26)23-15-24-19(17)22-8-12-25-9-2-1-3-10-25/h4-5,7,13,15H,1-3,6,8-12,14H2,(H,22,23,24)
InChIKeyUOLZIGSKRRBPAL-UHFFFAOYSA-N
XLogP1.97
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone (CID 56868340) is [4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCc2c(ncnc2NCCN2CCCCC2)C1.
What is the InChIKey of [4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
The InChIKey is UOLZIGSKRRBPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c27-20(16-5-4-7-21-13-16)26-11-6-17-18(14-26)23-15-24-19(17)22-8-12-25-9-2-1-3-10-25/h4-5,7,13,15H,1-3,6,8-12,14H2,(H,22,23,24).
What are the key properties of [4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone?
[4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone has a molecular weight of 366.47 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-piperidin-1-ylethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 56868340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).