4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide

C19H23N7O3 — CID 90854842

IUPAC4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide
SMILESNc1ncnc(N2CCN(C(=O)Nc3ccc(OC4CCC4)nc3)CC2)c1C=O
InChIInChI=1S/C19H23N7O3/c20-17-15(11-27)18(23-12-22-17)25-6-8-26(9-7-25)19(28)24-13-4-5-16(21-10-13)29-14-2-1-3-14/h4-5,10-12,14H,1-3,6-9H2,(H,24,28)(H2,20,22,23)
InChIKeyUTSSNNRJZOTKGK-UHFFFAOYSA-N
MW397.44 g/mol
LogP1.55
Rot. Bonds5

About 4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide

4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide (PubChem CID 90854842) has the molecular formula C19H23N7O3 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide
PubChem CID90854842
Molecular FormulaC19H23N7O3
Molecular Weight397.44 g/mol
Exact Mass397.19
IUPAC Name4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide
SMILESNc1ncnc(N2CCN(C(=O)Nc3ccc(OC4CCC4)nc3)CC2)c1C=O
InChIInChI=1S/C19H23N7O3/c20-17-15(11-27)18(23-12-22-17)25-6-8-26(9-7-25)19(28)24-13-4-5-16(21-10-13)29-14-2-1-3-14/h4-5,10-12,14H,1-3,6-9H2,(H,24,28)(H2,20,22,23)
InChIKeyUTSSNNRJZOTKGK-UHFFFAOYSA-N
XLogP1.55
TPSA126.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide?
The IUPAC name of 4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide (CID 90854842) is 4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide is Nc1ncnc(N2CCN(C(=O)Nc3ccc(OC4CCC4)nc3)CC2)c1C=O.
What is the InChIKey of 4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide?
The InChIKey is UTSSNNRJZOTKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O3/c20-17-15(11-27)18(23-12-22-17)25-6-8-26(9-7-25)19(28)24-13-4-5-16(21-10-13)29-14-2-1-3-14/h4-5,10-12,14H,1-3,6-9H2,(H,24,28)(H2,20,22,23).
What are the key properties of 4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide?
4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-formylpyrimidin-4-yl)-N-(6-cyclobutyloxy-3-pyridinyl)piperazine-1-carboxamide is sourced from PubChem (CID 90854842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).