methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate

C18H20N2O3 — CID 133488083

IUPACmethyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCc3ccccc32)nc1OC
InChIInChI=1S/C18H20N2O3/c1-22-17-14(18(21)23-2)10-11-16(20-17)19-15-9-5-7-12-6-3-4-8-13(12)15/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,19,20)
InChIKeyUUCUKQOJXJIEDO-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.37
Rot. Bonds4

About methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate

methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate (PubChem CID 133488083) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
PubChem CID133488083
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Namemethyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2CCCc3ccccc32)nc1OC
InChIInChI=1S/C18H20N2O3/c1-22-17-14(18(21)23-2)10-11-16(20-17)19-15-9-5-7-12-6-3-4-8-13(12)15/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,19,20)
InChIKeyUUCUKQOJXJIEDO-UHFFFAOYSA-N
XLogP3.37
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 6-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-2-methoxypyridine-3-carboxylate
CID 133490320
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 63590242
methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate
CID 95324954
2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 62784380
methyl 3-amino-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-1,2-thiazole-4-carboxylate
CID 103379935
methyl 4-methoxy-2-[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethoxy]benzoate
CID 7705059
5-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridin-2-amine
CID 62304263
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-4-amine
CID 60673860
6-chloro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridazin-3-amine
CID 60674920
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
4-methoxy-6-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidin-2-amine
CID 115626948
6-N-ethyl-4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine-2,4,6-triamine
CID 80797635

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate?
The IUPAC name of methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate (CID 133488083) is methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate is COC(=O)c1ccc(NC2CCCc3ccccc32)nc1OC.
What is the InChIKey of methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate?
The InChIKey is UUCUKQOJXJIEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-17-14(18(21)23-2)10-11-16(20-17)19-15-9-5-7-12-6-3-4-8-13(12)15/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate?
methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate has a molecular weight of 312.37 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-6-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyridine-3-carboxylate is sourced from PubChem (CID 133488083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).