methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate

C17H16N2O3 — CID 32642819

IUPACmethyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)nc1
InChIInChI=1S/C17H16N2O3/c1-22-17(21)13-6-8-15(18-10-13)16(20)19-14-7-5-11-3-2-4-12(11)9-14/h5-10H,2-4H2,1H3,(H,19,20)
InChIKeyDCYRGZLNDQCIIX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.61
Rot. Bonds3

About methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate

methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate (PubChem CID 32642819) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate
PubChem CID32642819
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)nc1
InChIInChI=1S/C17H16N2O3/c1-22-17(21)13-6-8-15(18-10-13)16(20)19-14-7-5-11-3-2-4-12(11)9-14/h5-10H,2-4H2,1H3,(H,19,20)
InChIKeyDCYRGZLNDQCIIX-UHFFFAOYSA-N
XLogP2.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(5,6,6a,7,8,9-hexahydro-4H-phenalen-2-ylcarbamoyl)pyridine-3-carboxylate
CID 67391040
methyl 6-(3-tricyclo[8.4.1.05,15]pentadeca-1,3,5(15)-trienylcarbamoyl)pyridine-3-carboxylate
CID 67390999
N-(2,3-dihydro-1H-inden-5-yl)-5-hydrazinylpyridine-2-carboxamide
CID 104642215
methyl 6-[(3,4-dimethylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31695014
methyl 6-[(3-fluoro-4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 31809423
N-(2,3-dihydro-1H-inden-5-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374031
N-(2,3-dihydro-1H-inden-5-yl)-6-(2-methoxyphenyl)pyridine-3-carboxamide
CID 58639666
N-(2,3-dihydro-1H-inden-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33167941
5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)pyridine-2-carboxylic acid
CID 166178703
methyl 6-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxylate
CID 33442469
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)benzamide
CID 42466710
N-(2,3-dihydro-1H-inden-5-yl)-4-ethoxybenzamide
CID 2673454

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate (CID 32642819) is methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)nc1.
What is the InChIKey of methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate?
The InChIKey is DCYRGZLNDQCIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-22-17(21)13-6-8-15(18-10-13)16(20)19-14-7-5-11-3-2-4-12(11)9-14/h5-10H,2-4H2,1H3,(H,19,20).
What are the key properties of methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate?
methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3-dihydro-1H-inden-5-ylcarbamoyl)pyridine-3-carboxylate is sourced from PubChem (CID 32642819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).