(6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate

C25H19ClN2O3 — CID 18281089

IUPAC(6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
SMILESO=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)OCc1ccc(Cl)nc1
InChIInChI=1S/C25H19ClN2O3/c26-23-13-12-17(15-27-23)16-31-25(30)21-10-3-4-11-22(21)28-24(29)14-19-8-5-7-18-6-1-2-9-20(18)19/h1-13,15H,14,16H2,(H,28,29)
InChIKeyLBHXNKKVFCVZND-UHFFFAOYSA-N
MW430.89 g/mol
LogP5.43
Rot. Bonds6

About (6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate

(6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate (PubChem CID 18281089) has the molecular formula C25H19ClN2O3 and a molecular weight of 430.89 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
PubChem CID18281089
Molecular FormulaC25H19ClN2O3
Molecular Weight430.89 g/mol
Exact Mass430.11
IUPAC Name(6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
SMILESO=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)OCc1ccc(Cl)nc1
InChIInChI=1S/C25H19ClN2O3/c26-23-13-12-17(15-27-23)16-31-25(30)21-10-3-4-11-22(21)28-24(29)14-19-8-5-7-18-6-1-2-9-20(18)19/h1-13,15H,14,16H2,(H,28,29)
InChIKeyLBHXNKKVFCVZND-UHFFFAOYSA-N
XLogP5.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.89
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-naphthalen-1-ylacetamide
CID 1228282
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
(6-chloro-3-pyridinyl)methyl 2-hydroxy-3-methoxybenzoate
CID 31916473
naphthalen-1-ylmethyl 2-(2-methylpropanoylamino)benzoate
CID 926085
oxolan-2-ylmethyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 16605574
N-(6-chloro-2-pyridinyl)-2-naphthalen-1-ylacetamide
CID 115669454
(6-chloro-3-pyridinyl)methyl 2,6-dichloropyridine-4-carboxylate
CID 11449945
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-[(2-naphthalen-1-ylacetyl)amino]benzoate
CID 2312808
2-[[2-[(2-naphthalen-1-ylacetyl)amino]benzoyl]amino]acetic acid
CID 134594660
(2-naphthalen-1-yl-2-oxoethyl) 2-(propanoylamino)benzoate
CID 1218310
2-[2-(naphthalen-1-ylamino)-2-oxoethyl]benzoate
CID 2405590
N-(2,4-dimethoxypyrimidin-5-yl)-2-naphthalen-1-ylacetamide
CID 122304049

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
The IUPAC name of (6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate (CID 18281089) is (6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate.
What is the SMILES notation for (6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
The canonical SMILES for (6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate is O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)OCc1ccc(Cl)nc1.
What is the InChIKey of (6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
The InChIKey is LBHXNKKVFCVZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O3/c26-23-13-12-17(15-27-23)16-31-25(30)21-10-3-4-11-22(21)28-24(29)14-19-8-5-7-18-6-1-2-9-20(18)19/h1-13,15H,14,16H2,(H,28,29).
What are the key properties of (6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate?
(6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate has a molecular weight of 430.89 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)methyl 2-[(2-naphthalen-1-ylacetyl)amino]benzoate is sourced from PubChem (CID 18281089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).