2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate

C16H16N2O2 — CID 81315987

IUPAC2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCc2ccc3c(c2)CCC3)nc1
InChIInChI=1S/C16H16N2O2/c17-14-6-7-15(18-9-14)16(19)20-10-11-4-5-12-2-1-3-13(12)8-11/h4-9H,1-3,10,17H2
InChIKeyFZRKHTATKAZVNI-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.51
Rot. Bonds3

About 2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate

2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate (PubChem CID 81315987) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate
PubChem CID81315987
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate
SMILESNc1ccc(C(=O)OCc2ccc3c(c2)CCC3)nc1
InChIInChI=1S/C16H16N2O2/c17-14-6-7-15(18-9-14)16(19)20-10-11-4-5-12-2-1-3-13(12)8-11/h4-9H,1-3,10,17H2
InChIKeyFZRKHTATKAZVNI-UHFFFAOYSA-N
XLogP2.51
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-difluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 105407614
(4-tert-butylphenyl)methyl 5-aminopyridine-2-carboxylate
CID 81312491
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl 5-aminopyridine-2-carboxylate
CID 107078632
2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
CID 83820869
(3-bromo-5-fluorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 81317390
5-amino-2-(2,3-dihydro-1H-inden-5-ylmethoxy)benzamide
CID 106956274
(4-methoxycarbonylphenyl)methyl 2,3-dihydro-1H-indene-5-carboxylate
CID 9010500
cyclopropylmethyl 5-aminopyridine-2-carboxylate
CID 81316089
2-(2,3-dihydro-1H-inden-5-yl)-1-(5-methylpyrazin-2-yl)ethanone
CID 105103657
2-phenylethyl 5-aminopyridine-2-carboxylate
CID 81316626
butyl 5-aminopyridine-2-carboxylate
CID 81315833
(4-carbamoyl-2-chlorophenyl)methyl 5-aminopyridine-2-carboxylate
CID 102669607

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate?
The IUPAC name of 2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate (CID 81315987) is 2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for 2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate is Nc1ccc(C(=O)OCc2ccc3c(c2)CCC3)nc1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate?
The InChIKey is FZRKHTATKAZVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c17-14-6-7-15(18-9-14)16(19)20-10-11-4-5-12-2-1-3-13(12)8-11/h4-9H,1-3,10,17H2.
What are the key properties of 2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate?
2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-ylmethyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 81315987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).