[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate

C15H14ClN3O4 — CID 22363219

IUPAC[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate
SMILESNCC(=O)NC(=O)Oc1ncccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O4/c16-11-5-3-10(4-6-11)9-22-12-2-1-7-18-14(12)23-15(21)19-13(20)8-17/h1-7H,8-9,17H2,(H,19,20,21)
InChIKeyHKHUJPCHPISCLC-UHFFFAOYSA-N
MW335.75 g/mol
LogP1.89
Rot. Bonds5

About [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate

[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate (PubChem CID 22363219) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate
PubChem CID22363219
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate
SMILESNCC(=O)NC(=O)Oc1ncccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O4/c16-11-5-3-10(4-6-11)9-22-12-2-1-7-18-14(12)23-15(21)19-13(20)8-17/h1-7H,8-9,17H2,(H,19,20,21)
InChIKeyHKHUJPCHPISCLC-UHFFFAOYSA-N
XLogP1.89
TPSA103.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] (4-chlorophenyl)methyl carbonate
CID 23196073
pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-chlorophenyl)methoxy]pyridine-3-carboxylate
CID 67690914
N-(2-aminoacetyl)-3-phenylmethoxypyridine-2-carboxamide
CID 15295479
ethyl 6-[(2-aminoacetyl)carbamoyloxy]-5-[(4-propan-2-ylphenyl)methoxy]pyridine-3-carboxylate
CID 67691309
(3-hydroxy-4-propoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 22363701
pentan-3-yl 6-[(2-aminoacetyl)carbamoyloxy]-5-[[4-(trifluoromethoxy)phenyl]methoxy]pyridine-3-carboxylate
CID 67690951
2-[(4-chlorophenyl)methoxy]pyridine-3-carbothioamide
CID 65126643
(4-hexoxy-3-hydroxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 22363708
1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea
CID 142715637
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
(4-butoxy-3-methoxy-2-pyridinyl) N-(2-aminoacetyl)carbamate
CID 67690651
1-[2-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 2763955

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate?
The IUPAC name of [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate (CID 22363219) is [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate.
What is the SMILES notation for [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate?
The canonical SMILES for [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate is NCC(=O)NC(=O)Oc1ncccc1OCc1ccc(Cl)cc1.
What is the InChIKey of [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate?
The InChIKey is HKHUJPCHPISCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c16-11-5-3-10(4-6-11)9-22-12-2-1-7-18-14(12)23-15(21)19-13(20)8-17/h1-7H,8-9,17H2,(H,19,20,21).
What are the key properties of [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate?
[3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate has a molecular weight of 335.75 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methoxy]-2-pyridinyl] N-(2-aminoacetyl)carbamate is sourced from PubChem (CID 22363219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).