methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate

C23H29ClN6O4 — CID 67980053

IUPACmethyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)C1
InChIInChI=1S/C23H29ClN6O4/c1-33-23(32)30-6-2-3-16(14-30)22(31)29-20-9-17(18(24)11-27-20)19-12-25-13-21(28-19)26-10-15-4-7-34-8-5-15/h9,11-13,15-16H,2-8,10,14H2,1H3,(H,26,28)(H,27,29,31)
InChIKeyYLDOWPIVRDZBEK-UHFFFAOYSA-N
MW488.98 g/mol
LogP3.45
Rot. Bonds6

About methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate

methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 67980053) has the molecular formula C23H29ClN6O4 and a molecular weight of 488.98 g/mol. Its IUPAC name is methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
PubChem CID67980053
Molecular FormulaC23H29ClN6O4
Molecular Weight488.98 g/mol
Exact Mass488.19
IUPAC Namemethyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)C1
InChIInChI=1S/C23H29ClN6O4/c1-33-23(32)30-6-2-3-16(14-30)22(31)29-20-9-17(18(24)11-27-20)19-12-25-13-21(28-19)26-10-15-4-7-34-8-5-15/h9,11-13,15-16H,2-8,10,14H2,1H3,(H,26,28)(H,27,29,31)
InChIKeyYLDOWPIVRDZBEK-UHFFFAOYSA-N
XLogP3.45
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate (CID 67980053) is methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)C1.
What is the InChIKey of methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is YLDOWPIVRDZBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O4/c1-33-23(32)30-6-2-3-16(14-30)22(31)29-20-9-17(18(24)11-27-20)19-12-25-13-21(28-19)26-10-15-4-7-34-8-5-15/h9,11-13,15-16H,2-8,10,14H2,1H3,(H,26,28)(H,27,29,31).
What are the key properties of methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate?
methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 488.98 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 67980053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).