methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate

C16H14Cl2N2O3 — CID 32912046

IUPACmethyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C16H14Cl2N2O3/c1-9(12-5-4-11(17)7-13(12)18)20-15(21)14-6-3-10(8-19-14)16(22)23-2/h3-9H,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyAHOXPPJHULCKTF-VIFPVBQESA-N
MW353.21 g/mol
LogP3.67
Rot. Bonds4

About methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate

methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate (PubChem CID 32912046) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.21 g/mol. Its IUPAC name is methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate
PubChem CID32912046
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.21 g/mol
Exact Mass352.04
IUPAC Namemethyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C16H14Cl2N2O3/c1-9(12-5-4-11(17)7-13(12)18)20-15(21)14-6-3-10(8-19-14)16(22)23-2/h3-9H,1-2H3,(H,20,21)/t9-/m0/s1
InChIKeyAHOXPPJHULCKTF-VIFPVBQESA-N
XLogP3.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.21
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
methyl 4-[2-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-2-oxoethoxy]benzoate
CID 7965600
methyl 4-[(1S)-1-acetamidoethyl]-3-chlorobenzoate
CID 58306484
methyl 3-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]-5-nitrobenzoate
CID 8503256
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-methylsulfonylbenzamide
CID 9441444
methyl 6-[[(4-bromo-2-fluorophenyl)-phenylmethyl]carbamoyl]pyridine-3-carboxylate
CID 55991772
4-chloro-N-[1-(2,4-dichlorophenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 47118898
2-[1-(2,4-dichlorophenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696610
[(2S)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate
CID 7702660
methyl 3-[1-(2,4-dichlorophenyl)ethyl-methylcarbamoyl]benzoate
CID 51117205

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate (CID 32912046) is methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate?
The InChIKey is AHOXPPJHULCKTF-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c1-9(12-5-4-11(17)7-13(12)18)20-15(21)14-6-3-10(8-19-14)16(22)23-2/h3-9H,1-2H3,(H,20,21)/t9-/m0/s1.
What are the key properties of methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate?
methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate has a molecular weight of 353.21 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[(1S)-1-(2,4-dichlorophenyl)ethyl]carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 32912046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).