ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate

C18H17ClN2O3 — CID 95905316

IUPACethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate
SMILESCCOC(=O)[C@]1(NC(=O)c2ccncc2Cl)CCc2ccccc21
InChIInChI=1S/C18H17ClN2O3/c1-2-24-17(23)18(9-7-12-5-3-4-6-14(12)18)21-16(22)13-8-10-20-11-15(13)19/h3-6,8,10-11H,2,7,9H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyOMNFVNBRIKUCJE-SFHVURJKSA-N
MW344.80 g/mol
LogP2.87
Rot. Bonds4

About ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate

ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate (PubChem CID 95905316) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate
PubChem CID95905316
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC Nameethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate
SMILESCCOC(=O)[C@]1(NC(=O)c2ccncc2Cl)CCc2ccccc21
InChIInChI=1S/C18H17ClN2O3/c1-2-24-17(23)18(9-7-12-5-3-4-6-14(12)18)21-16(22)13-8-10-20-11-15(13)19/h3-6,8,10-11H,2,7,9H2,1H3,(H,21,22)/t18-/m0/s1
InChIKeyOMNFVNBRIKUCJE-SFHVURJKSA-N
XLogP2.87
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-(2,2,2-trifluoroethylamino)-2,3-dihydroindene-1-carboxylate
CID 60997641
ethyl (1S)-1-[[2-[[(2R)-2-methylbutanoyl]amino]acetyl]amino]-2,3-dihydroindene-1-carboxylate
CID 95768836
ethyl (1S)-1-[2-(1,2,4-triazol-1-yl)ethylamino]-2,3-dihydroindene-1-carboxylate
CID 97216775
ethyl 1-[3-(3-but-3-ynyldiazirin-3-yl)propanoylamino]-2,3-dihydroindene-1-carboxylate
CID 166408395
3-chloro-N-(2-ethoxy-2-methylpropyl)pyridine-4-carboxamide
CID 114942605
ethyl (1S)-1-[(3-nitro-2-pyridinyl)amino]-2,3-dihydroindene-1-carboxylate
CID 69159814
3-chloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 66462437
1-[(3-chloropyridine-4-carbonyl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 66462007
3-chloro-N-[2-(dimethylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 66464016
methyl 3-[(3-chloropyridine-4-carbonyl)amino]-2-hydroxypropanoate
CID 113358681
ethyl (1S)-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]-2,3-dihydroindene-1-carboxylate
CID 95352366
3-chloro-N-propan-2-yloxypyridine-4-carboxamide
CID 131031569

Frequently Asked Questions

What is the IUPAC name of ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate?
The IUPAC name of ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate (CID 95905316) is ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate is CCOC(=O)[C@]1(NC(=O)c2ccncc2Cl)CCc2ccccc21.
What is the InChIKey of ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate?
The InChIKey is OMNFVNBRIKUCJE-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-2-24-17(23)18(9-7-12-5-3-4-6-14(12)18)21-16(22)13-8-10-20-11-15(13)19/h3-6,8,10-11H,2,7,9H2,1H3,(H,21,22)/t18-/m0/s1.
What are the key properties of ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate?
ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate has a molecular weight of 344.80 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S)-1-[(3-chloropyridine-4-carbonyl)amino]-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 95905316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).