propyl 6-(propan-2-ylamino)pyridine-2-carboxylate

C12H18N2O2 — CID 115498670

IUPACpropyl 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCCCOC(=O)c1cccc(NC(C)C)n1
InChIInChI=1S/C12H18N2O2/c1-4-8-16-12(15)10-6-5-7-11(14-10)13-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,13,14)
InChIKeyBRICNBCXJGPZIX-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.47
Rot. Bonds5

About propyl 6-(propan-2-ylamino)pyridine-2-carboxylate

propyl 6-(propan-2-ylamino)pyridine-2-carboxylate (PubChem CID 115498670) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is propyl 6-(propan-2-ylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Namepropyl 6-(propan-2-ylamino)pyridine-2-carboxylate
PubChem CID115498670
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namepropyl 6-(propan-2-ylamino)pyridine-2-carboxylate
SMILESCCCOC(=O)c1cccc(NC(C)C)n1
InChIInChI=1S/C12H18N2O2/c1-4-8-16-12(15)10-6-5-7-11(14-10)13-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,13,14)
InChIKeyBRICNBCXJGPZIX-UHFFFAOYSA-N
XLogP2.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 106205643
2-piperidin-1-ylethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498736
2,2,2-trifluoroethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 113323737
(2-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498775
(3-ethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498680
N-ethyl-N-(1-methoxypropan-2-yl)-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498270
oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498619
(4-fluorophenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498727
(3,5-dimethylphenyl) 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498721
6-O-(5-methoxy-3-methylpentan-2-yl) 2-O-propyl pyridine-2,6-dicarboxylate
CID 91724136
N-(2-ethoxyethyl)-N-ethyl-6-(propan-2-ylamino)pyridine-2-carboxamide
CID 115498461
ethyl 2-[(6-carbamothioyl-2-pyridinyl)amino]propanoate
CID 64589637

Frequently Asked Questions

What is the IUPAC name of propyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The IUPAC name of propyl 6-(propan-2-ylamino)pyridine-2-carboxylate (CID 115498670) is propyl 6-(propan-2-ylamino)pyridine-2-carboxylate.
What is the SMILES notation for propyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The canonical SMILES for propyl 6-(propan-2-ylamino)pyridine-2-carboxylate is CCCOC(=O)c1cccc(NC(C)C)n1.
What is the InChIKey of propyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
The InChIKey is BRICNBCXJGPZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-8-16-12(15)10-6-5-7-11(14-10)13-9(2)3/h5-7,9H,4,8H2,1-3H3,(H,13,14).
What are the key properties of propyl 6-(propan-2-ylamino)pyridine-2-carboxylate?
propyl 6-(propan-2-ylamino)pyridine-2-carboxylate has a molecular weight of 222.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 6-(propan-2-ylamino)pyridine-2-carboxylate is sourced from PubChem (CID 115498670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).