methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate

C12H17N3O3 — CID 114194866

IUPACmethyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1NC1CCOCC1
InChIInChI=1S/C12H17N3O3/c1-17-12(16)9-6-11(13)14-7-10(9)15-8-2-4-18-5-3-8/h6-8,15H,2-5H2,1H3,(H2,13,14)
InChIKeyMUXMVWJINGAHOZ-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.04
Rot. Bonds3

About methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate

methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate (PubChem CID 114194866) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate
PubChem CID114194866
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N)ncc1NC1CCOCC1
InChIInChI=1S/C12H17N3O3/c1-17-12(16)9-6-11(13)14-7-10(9)15-8-2-4-18-5-3-8/h6-8,15H,2-5H2,1H3,(H2,13,14)
InChIKeyMUXMVWJINGAHOZ-UHFFFAOYSA-N
XLogP1.04
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-amino-5-(thian-3-ylamino)pyridine-4-carboxylate
CID 114195380
methyl 5-amino-2-(oxan-4-ylamino)benzoate
CID 61305371
methyl 5-fluoro-2-(oxan-4-ylamino)benzoate
CID 43735443
methyl 2-amino-5-[(4-methyloxan-4-yl)amino]pyridine-4-carboxylate
CID 114195372
methyl 2-amino-5-(oxan-4-ylmethoxy)pyridine-4-carboxylate
CID 114195676
methyl 2-amino-5-[(2-methoxycyclopentyl)amino]pyridine-4-carboxylate
CID 114195046
2-amino-5-[(4-methylcyclohexyl)amino]pyridine-4-carboxamide
CID 114194775
methyl 5-chloro-2-methoxy-4-(oxan-4-ylamino)benzoate
CID 59564312
2-amino-5-[(2-methyloxan-4-yl)amino]pyridine-4-carboxylic acid
CID 114195487
ethyl 2-amino-5-(thiolan-3-ylamino)pyridine-4-carboxylate
CID 114195432
methyl 2-(cyclopropylamino)-5-fluorobenzoate
CID 103439096
methyl 4-bromo-2-fluoro-6-(oxan-4-ylamino)benzoate
CID 166637637

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate (CID 114194866) is methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate is COC(=O)c1cc(N)ncc1NC1CCOCC1.
What is the InChIKey of methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate?
The InChIKey is MUXMVWJINGAHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-17-12(16)9-6-11(13)14-7-10(9)15-8-2-4-18-5-3-8/h6-8,15H,2-5H2,1H3,(H2,13,14).
What are the key properties of methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate?
methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(oxan-4-ylamino)pyridine-4-carboxylate is sourced from PubChem (CID 114194866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).