benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate

C26H22N2O3 — CID 139044292

IUPACbenzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate
SMILESC[C@@H](NC(=O)c1cccc(C(=O)OCc2ccccc2)n1)c1ccc2ccccc2c1
InChIInChI=1S/C26H22N2O3/c1-18(21-15-14-20-10-5-6-11-22(20)16-21)27-25(29)23-12-7-13-24(28-23)26(30)31-17-19-8-3-2-4-9-19/h2-16,18H,17H2,1H3,(H,27,29)/t18-/m1/s1
InChIKeyHJPMJLJQJPOXGT-GOSISDBHSA-N
MW410.47 g/mol
LogP5.08
Rot. Bonds6

About benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate

benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate (PubChem CID 139044292) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate
PubChem CID139044292
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Namebenzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate
SMILESC[C@@H](NC(=O)c1cccc(C(=O)OCc2ccccc2)n1)c1ccc2ccccc2c1
InChIInChI=1S/C26H22N2O3/c1-18(21-15-14-20-10-5-6-11-22(20)16-21)27-25(29)23-12-7-13-24(28-23)26(30)31-17-19-8-3-2-4-9-19/h2-16,18H,17H2,1H3,(H,27,29)/t18-/m1/s1
InChIKeyHJPMJLJQJPOXGT-GOSISDBHSA-N
XLogP5.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.47
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Phenyl-[(2-p-tolyl-quinoline-4-carbonyl)-amino]-acetic acid methyl ester
CID 10740312
[(5,6-Dihydro-benzo[c]acridine-7-carbonyl)-amino]-phenyl-acetic acid methyl ester
CID 10788357
[6,6''-Dimethyl-2''-(2-pyridin-2-yl-ethylcarbamoyl)-biphenyl-2-ylmethyl]-carbamic acid benzyl ester
CID 11827109
N-(cyclobutylmethyl)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 58973398
[2-(Benzylamino)-2-oxoethyl] quinoline-2-carboxylate
CID 2370753
[2-[1-(2-Bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 3533006
2-[(2-Quinolinylcarbonyl)amino]ethyl 4-fluorobenzoate
CID 4088302
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 4112239
N-benzyl-6-(4-methylnaphthalen-1-yl)pyridine-2-carboxamide
CID 6096204
benzyl (2S)-2-(isoquinoline-3-carbonylamino)-4-methylpentanoate
CID 52952822
benzyl (2S)-2-(isoquinoline-3-carbonylamino)propanoate
CID 53230829
benzyl (2S)-2-(isoquinoline-3-carbonylamino)-3-methylbutanoate
CID 53230830

Frequently Asked Questions

What is the IUPAC name of benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate?
The IUPAC name of benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate (CID 139044292) is benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate?
The canonical SMILES for benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate is C[C@@H](NC(=O)c1cccc(C(=O)OCc2ccccc2)n1)c1ccc2ccccc2c1.
What is the InChIKey of benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate?
The InChIKey is HJPMJLJQJPOXGT-GOSISDBHSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-18(21-15-14-20-10-5-6-11-22(20)16-21)27-25(29)23-12-7-13-24(28-23)26(30)31-17-19-8-3-2-4-9-19/h2-16,18H,17H2,1H3,(H,27,29)/t18-/m1/s1.
What are the key properties of benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate?
benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate has a molecular weight of 410.47 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 139044292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).