1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

C25H28N6O — CID 127039612

IUPAC1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccccc2)CC3)CC1
InChIInChI=1S/C25H28N6O/c26-23(32)19-9-14-31(15-10-19)25-20-17-30(16-18-6-2-1-3-7-18)13-11-21(20)28-24(29-25)22-8-4-5-12-27-22/h1-8,12,19H,9-11,13-17H2,(H2,26,32)
InChIKeyQXYYYFOCWWWMNZ-UHFFFAOYSA-N
MW428.54 g/mol
LogP2.80
Rot. Bonds5

About 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide

1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 127039612) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID127039612
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccccc2)CC3)CC1
InChIInChI=1S/C25H28N6O/c26-23(32)19-9-14-31(15-10-19)25-20-17-30(16-18-6-2-1-3-7-18)13-11-21(20)28-24(29-25)22-8-4-5-12-27-22/h1-8,12,19H,9-11,13-17H2,(H2,26,32)
InChIKeyQXYYYFOCWWWMNZ-UHFFFAOYSA-N
XLogP2.80
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 127039612) is 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(-c3ccccn3)nc3c2CN(Cc2ccccc2)CC3)CC1.
What is the InChIKey of 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is QXYYYFOCWWWMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c26-23(32)19-9-14-31(15-10-19)25-20-17-30(16-18-6-2-1-3-7-18)13-11-21(20)28-24(29-25)22-8-4-5-12-27-22/h1-8,12,19H,9-11,13-17H2,(H2,26,32).
What are the key properties of 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide?
1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 127039612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).