methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate

C17H23N5O4 — CID 66920745

IUPACmethyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCCOc1nc(C(=O)NCC2CCN(C(=O)OC)CC2)cc(N)c1C#N
InChIInChI=1S/C17H23N5O4/c1-3-26-16-12(9-18)13(19)8-14(21-16)15(23)20-10-11-4-6-22(7-5-11)17(24)25-2/h8,11H,3-7,10H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeySRMCDXOFGPMPTK-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.14
Rot. Bonds5

About methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate

methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 66920745) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
PubChem CID66920745
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Namemethyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate
SMILESCCOc1nc(C(=O)NCC2CCN(C(=O)OC)CC2)cc(N)c1C#N
InChIInChI=1S/C17H23N5O4/c1-3-26-16-12(9-18)13(19)8-14(21-16)15(23)20-10-11-4-6-22(7-5-11)17(24)25-2/h8,11H,3-7,10H2,1-2H3,(H2,19,21)(H,20,23)
InChIKeySRMCDXOFGPMPTK-UHFFFAOYSA-N
XLogP1.14
TPSA130.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate (CID 66920745) is methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate is CCOc1nc(C(=O)NCC2CCN(C(=O)OC)CC2)cc(N)c1C#N.
What is the InChIKey of methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is SRMCDXOFGPMPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-3-26-16-12(9-18)13(19)8-14(21-16)15(23)20-10-11-4-6-22(7-5-11)17(24)25-2/h8,11H,3-7,10H2,1-2H3,(H2,19,21)(H,20,23).
What are the key properties of methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate?
methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(4-amino-5-cyano-6-ethoxypyridine-2-carbonyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 66920745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).