2-methylpentyl 6-aminopyridine-3-carboxylate

C12H18N2O2 — CID 103284118

IUPAC2-methylpentyl 6-aminopyridine-3-carboxylate
SMILESCCCC(C)COC(=O)c1ccc(N)nc1
InChIInChI=1S/C12H18N2O2/c1-3-4-9(2)8-16-12(15)10-5-6-11(13)14-7-10/h5-7,9H,3-4,8H2,1-2H3,(H2,13,14)
InChIKeyYEGMVTQWONYOFI-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.26
Rot. Bonds5

About 2-methylpentyl 6-aminopyridine-3-carboxylate

2-methylpentyl 6-aminopyridine-3-carboxylate (PubChem CID 103284118) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methylpentyl 6-aminopyridine-3-carboxylate.

Molecular Properties

Compound Name2-methylpentyl 6-aminopyridine-3-carboxylate
PubChem CID103284118
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-methylpentyl 6-aminopyridine-3-carboxylate
SMILESCCCC(C)COC(=O)c1ccc(N)nc1
InChIInChI=1S/C12H18N2O2/c1-3-4-9(2)8-16-12(15)10-5-6-11(13)14-7-10/h5-7,9H,3-4,8H2,1-2H3,(H2,13,14)
InChIKeyYEGMVTQWONYOFI-UHFFFAOYSA-N
XLogP2.26
TPSA65.21 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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpentyl 6-bromopyridine-3-carboxylate
CID 103285936
4-(2-methylpentoxycarbonyl)benzoic acid
CID 174193662
2-methylpentyl 3-amino-4-methylbenzoate
CID 62265210
2-methylpentyl 2-amino-5-bromopyridine-4-carboxylate
CID 114195815
2-methylpentyl 3-amino-4-ethoxybenzoate
CID 55055867
1-ethoxypropan-2-yl 6-aminopyridine-3-carboxylate
CID 103489205
2-methylpentyl 4-butylbenzoate
CID 91723771
2-methylpentyl 3-amino-4-methoxybenzoate
CID 62265567
6-amino-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)pyridine-3-carboxamide
CID 62187168
2-methylpentyl pyridine-2-carboxylate
CID 150671770
2-methylpentyl 2,3-difluoropyridine-4-carboxylate
CID 103285945
6-amino-N-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 62154358

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 6-aminopyridine-3-carboxylate?
The IUPAC name of 2-methylpentyl 6-aminopyridine-3-carboxylate (CID 103284118) is 2-methylpentyl 6-aminopyridine-3-carboxylate.
What is the SMILES notation for 2-methylpentyl 6-aminopyridine-3-carboxylate?
The canonical SMILES for 2-methylpentyl 6-aminopyridine-3-carboxylate is CCCC(C)COC(=O)c1ccc(N)nc1.
What is the InChIKey of 2-methylpentyl 6-aminopyridine-3-carboxylate?
The InChIKey is YEGMVTQWONYOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-9(2)8-16-12(15)10-5-6-11(13)14-7-10/h5-7,9H,3-4,8H2,1-2H3,(H2,13,14).
What are the key properties of 2-methylpentyl 6-aminopyridine-3-carboxylate?
2-methylpentyl 6-aminopyridine-3-carboxylate has a molecular weight of 222.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 6-aminopyridine-3-carboxylate is sourced from PubChem (CID 103284118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).