6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid

C12H17N3O3 — CID 138674685

IUPAC6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid
SMILESCOC1=C(C2=CCNCC2)CN(C(=O)O)C(N)=C1
InChIInChI=1S/C12H17N3O3/c1-18-10-6-11(13)15(12(16)17)7-9(10)8-2-4-14-5-3-8/h2,6,14H,3-5,7,13H2,1H3,(H,16,17)
InChIKeyFIQBTEFIPAXTOT-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.60
Rot. Bonds2

About 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid

6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid (PubChem CID 138674685) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid
PubChem CID138674685
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid
SMILESCOC1=C(C2=CCNCC2)CN(C(=O)O)C(N)=C1
InChIInChI=1S/C12H17N3O3/c1-18-10-6-11(13)15(12(16)17)7-9(10)8-2-4-14-5-3-8/h2,6,14H,3-5,7,13H2,1H3,(H,16,17)
InChIKeyFIQBTEFIPAXTOT-UHFFFAOYSA-N
XLogP0.60
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 138674740
tert-butyl 6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylate
CID 138674863
tert-butyl 6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylate
CID 139415874
6-amino-4-methoxy-3-piperidin-4-yl-2H-pyridine-1-carboxylic acid
CID 155071889
6-amino-4-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid
CID 155071902
tert-butyl 4-(6-amino-4-methoxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175050397
tert-butyl 4-(6-amino-4-cyclopropyloxy-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175051576
tert-butyl 4-[4-ethoxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2-dihydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175054693
tert-butyl 4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-propoxy-1,2-dihydropyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175056864

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid?
The IUPAC name of 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid (CID 138674685) is 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid is COC1=C(C2=CCNCC2)CN(C(=O)O)C(N)=C1.
What is the InChIKey of 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid?
The InChIKey is FIQBTEFIPAXTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-10-6-11(13)15(12(16)17)7-9(10)8-2-4-14-5-3-8/h2,6,14H,3-5,7,13H2,1H3,(H,16,17).
What are the key properties of 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid?
6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 138674685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).