2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate

C37H52N8O16 — CID 157290509

IUPAC2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate
SMILESC.COC(=O)Nc1c(C(=O)OC)cc(OC)nc1OC.COC(=O)Nc1ccc(OC)nc1OC.COC(=O)c1cc(OC)nc(OC)c1N.COc1ccc(N)c(OC)n1
InChIInChI=1S/C11H14N2O6.2C9H12N2O4.C7H10N2O2.CH4/c1-16-7-5-6(10(14)18-3)8(9(12-7)17-2)13-11(15)19-4;1-13-6-4-5(9(12)15-3)7(10)8(11-6)14-2;1-13-7-5-4-6(8(11-7)14-2)10-9(12)15-3;1-10-6-4-3-5(8)7(9-6)11-2;/h5H,1-4H3,(H,13,15);4H,10H2,1-3H3;4-5H,1-3H3,(H,10,12);3-4H,8H2,1-2H3;1H4
InChIKeyBATBBDBNZZNSFK-UHFFFAOYSA-N
MW864.86 g/mol
LogP4.13
Rot. Bonds12

About 2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate

2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate (PubChem CID 157290509) has the molecular formula C37H52N8O16 and a molecular weight of 864.86 g/mol. Its IUPAC name is 2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate.

Molecular Properties

Compound Name2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate
PubChem CID157290509
Molecular FormulaC37H52N8O16
Molecular Weight864.86 g/mol
Exact Mass864.35
IUPAC Name2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate
SMILESC.COC(=O)Nc1c(C(=O)OC)cc(OC)nc1OC.COC(=O)Nc1ccc(OC)nc1OC.COC(=O)c1cc(OC)nc(OC)c1N.COc1ccc(N)c(OC)n1
InChIInChI=1S/C11H14N2O6.2C9H12N2O4.C7H10N2O2.CH4/c1-16-7-5-6(10(14)18-3)8(9(12-7)17-2)13-11(15)19-4;1-13-6-4-5(9(12)15-3)7(10)8(11-6)14-2;1-13-7-5-4-6(8(11-7)14-2)10-9(12)15-3;1-10-6-4-3-5(8)7(9-6)11-2;/h5H,1-4H3,(H,13,15);4H,10H2,1-3H3;4-5H,1-3H3,(H,10,12);3-4H,8H2,1-2H3;1H4
InChIKeyBATBBDBNZZNSFK-UHFFFAOYSA-N
XLogP4.13
TPSA306.70 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500864.86
LogP ≤ 54.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate with MolForge

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Related Compounds

methyl 2,6-dimethoxy-3-[(4-methoxyphenyl)sulfonylamino]pyridine-4-carboxylate
CID 21251115
methyl 2,3,6-trimethoxypyridine-4-carboxylate
CID 130406819
methyl 3-amino-6-methoxypyridine-2-carboxylate;hydrochloride
CID 71544878
N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide
CID 138105998
dimethyl 2-amino-5-methoxybenzene-1,3-dicarboxylate
CID 91737513
2-[(5-amino-6-methoxy-2-pyridinyl)amino]acetamide
CID 43260954
N-(2,6-dimethoxy-3-pyridinyl)-1-methylpyrrole-2-carboxamide
CID 3739273
methyl 2-amino-5-methoxybenzoate
CID 13052275
methyl 2-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-5-methylbenzoate
CID 62794085
methyl 2-methoxy-8-methylquinoline-5-carboxylate
CID 86241626
1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 167457260
4-chloro-N-(2,6-dimethoxy-3-pyridinyl)-3-sulfamoylbenzamide
CID 25046045

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate?
The IUPAC name of 2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate (CID 157290509) is 2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate.
What is the SMILES notation for 2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate?
The canonical SMILES for 2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate is C.COC(=O)Nc1c(C(=O)OC)cc(OC)nc1OC.COC(=O)Nc1ccc(OC)nc1OC.COC(=O)c1cc(OC)nc(OC)c1N.COc1ccc(N)c(OC)n1.
What is the InChIKey of 2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate?
The InChIKey is BATBBDBNZZNSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6.2C9H12N2O4.C7H10N2O2.CH4/c1-16-7-5-6(10(14)18-3)8(9(12-7)17-2)13-11(15)19-4;1-13-6-4-5(9(12)15-3)7(10)8(11-6)14-2;1-13-7-5-4-6(8(11-7)14-2)10-9(12)15-3;1-10-6-4-3-5(8)7(9-6)11-2;/h5H,1-4H3,(H,13,15);4H,10H2,1-3H3;4-5H,1-3H3,(H,10,12);3-4H,8H2,1-2H3;1H4.
What are the key properties of 2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate?
2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate has a molecular weight of 864.86 g/mol, XLogP of 4.13, 12 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxypyridin-3-amine;methane;methyl 3-amino-2,6-dimethoxypyridine-4-carboxylate;methyl 2,6-dimethoxy-3-(methoxycarbonylamino)pyridine-4-carboxylate;methyl N-(2,6-dimethoxy-3-pyridinyl)carbamate is sourced from PubChem (CID 157290509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).