N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide

C24H30N8O2 — CID 90099851

IUPACN-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide
SMILESCOc1cncc2nc(-c3ccnc(NC(=O)CN4CCCCC4)c3)nc(N3CCNCC3)c12
InChIInChI=1S/C24H30N8O2/c1-34-19-15-26-14-18-22(19)24(32-11-7-25-8-12-32)30-23(28-18)17-5-6-27-20(13-17)29-21(33)16-31-9-3-2-4-10-31/h5-6,13-15,25H,2-4,7-12,16H2,1H3,(H,27,29,33)
InChIKeyVKHKMDZUXMQZFB-UHFFFAOYSA-N
MW462.56 g/mol
LogP1.93
Rot. Bonds6

About N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide

N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide (PubChem CID 90099851) has the molecular formula C24H30N8O2 and a molecular weight of 462.56 g/mol. Its IUPAC name is N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide
PubChem CID90099851
Molecular FormulaC24H30N8O2
Molecular Weight462.56 g/mol
Exact Mass462.25
IUPAC NameN-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide
SMILESCOc1cncc2nc(-c3ccnc(NC(=O)CN4CCCCC4)c3)nc(N3CCNCC3)c12
InChIInChI=1S/C24H30N8O2/c1-34-19-15-26-14-18-22(19)24(32-11-7-25-8-12-32)30-23(28-18)17-5-6-27-20(13-17)29-21(33)16-31-9-3-2-4-10-31/h5-6,13-15,25H,2-4,7-12,16H2,1H3,(H,27,29,33)
InChIKeyVKHKMDZUXMQZFB-UHFFFAOYSA-N
XLogP1.93
TPSA108.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide (CID 90099851) is N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide is COc1cncc2nc(-c3ccnc(NC(=O)CN4CCCCC4)c3)nc(N3CCNCC3)c12.
What is the InChIKey of N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide?
The InChIKey is VKHKMDZUXMQZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O2/c1-34-19-15-26-14-18-22(19)24(32-11-7-25-8-12-32)30-23(28-18)17-5-6-27-20(13-17)29-21(33)16-31-9-3-2-4-10-31/h5-6,13-15,25H,2-4,7-12,16H2,1H3,(H,27,29,33).
What are the key properties of N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide?
N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide has a molecular weight of 462.56 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methoxy-4-piperazin-1-ylpyrido[3,4-d]pyrimidin-2-yl)-2-pyridinyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 90099851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).