methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate

C14H20N2O3 — CID 103742972

IUPACmethyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC2(C)CCOCC2)ccn1
InChIInChI=1S/C14H20N2O3/c1-14(4-7-19-8-5-14)10-16-11-3-6-15-12(9-11)13(17)18-2/h3,6,9H,4-5,7-8,10H2,1-2H3,(H,15,16)
InChIKeyCMUVNKMJZILKJX-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.10
Rot. Bonds4

About methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate

methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate (PubChem CID 103742972) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate
PubChem CID103742972
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(NCC2(C)CCOCC2)ccn1
InChIInChI=1S/C14H20N2O3/c1-14(4-7-19-8-5-14)10-16-11-3-6-15-12(9-11)13(17)18-2/h3,6,9H,4-5,7-8,10H2,1-2H3,(H,15,16)
InChIKeyCMUVNKMJZILKJX-UHFFFAOYSA-N
XLogP2.10
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate
CID 66287095
N-ethyl-4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carboxamide
CID 104705688
methyl 4-(4,4,4-trifluorobutylamino)pyridine-2-carboxylate
CID 79040373
methyl 4-(benzylamino)pyridine-2-carboxylate
CID 66008646
methyl 4-(2-methylsulfanylethylamino)pyridine-2-carboxylate
CID 66286478
methyl 4-(1,2-oxazol-3-ylmethylamino)pyridine-2-carboxylate
CID 79492915
methyl 4-[(2-ethyl-2-hydroxybutyl)amino]pyridine-2-carboxylate
CID 66285885
methyl 4-[(5-ethylthiophen-2-yl)methylamino]pyridine-2-carboxylate
CID 103702630
methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
CID 66285903
4-[(3-methoxyoxolan-3-yl)methylamino]pyridine-2-carbothioamide
CID 104761878
methyl 4-[[1-(2-methoxyethyl)piperidin-4-yl]methylamino]pyridine-2-carboxylate
CID 71926633
methyl 4-(3-methylsulfanylpropylamino)pyridine-2-carboxylate
CID 66286681

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate (CID 103742972) is methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate is COC(=O)c1cc(NCC2(C)CCOCC2)ccn1.
What is the InChIKey of methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate?
The InChIKey is CMUVNKMJZILKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(4-7-19-8-5-14)10-16-11-3-6-15-12(9-11)13(17)18-2/h3,6,9H,4-5,7-8,10H2,1-2H3,(H,15,16).
What are the key properties of methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate?
methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methyloxan-4-yl)methylamino]pyridine-2-carboxylate is sourced from PubChem (CID 103742972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).