2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid

C15H14ClN3O4 — CID 140507713

IUPAC2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid
SMILESNC(=O)c1ccc(Oc2ccc(CCNC(=O)O)c(Cl)c2)nc1
InChIInChI=1S/C15H14ClN3O4/c16-12-7-11(3-1-9(12)5-6-18-15(21)22)23-13-4-2-10(8-19-13)14(17)20/h1-4,7-8,18H,5-6H2,(H2,17,20)(H,21,22)
InChIKeyDMISIPNQYLHCOX-UHFFFAOYSA-N
MW335.75 g/mol
LogP2.44
Rot. Bonds6

About 2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid

2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid (PubChem CID 140507713) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is 2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid.

Molecular Properties

Compound Name2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid
PubChem CID140507713
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid
SMILESNC(=O)c1ccc(Oc2ccc(CCNC(=O)O)c(Cl)c2)nc1
InChIInChI=1S/C15H14ClN3O4/c16-12-7-11(3-1-9(12)5-6-18-15(21)22)23-13-4-2-10(8-19-13)14(17)20/h1-4,7-8,18H,5-6H2,(H2,17,20)(H,21,22)
InChIKeyDMISIPNQYLHCOX-UHFFFAOYSA-N
XLogP2.44
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-chloro-4-[2-(3-methylbutylamino)ethyl]phenoxy]pyridine-3-carboxamide
CID 59830886
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
6-[4-[2-[2-(3-chlorophenyl)ethylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 68746071
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205
6-(6-bromonaphthalen-2-yl)oxypyridine-3-carboxamide
CID 60704687
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[[2-(3-phenylpropylamino)-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 66673399
6-(2,3-dihydro-1H-isoindol-5-yloxy)pyridine-3-carboxamide
CID 59730173
6-(3-amino-4-methoxyphenoxy)pyridine-3-carboxamide
CID 103202001
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid?
The IUPAC name of 2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid (CID 140507713) is 2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid.
What is the SMILES notation for 2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid?
The canonical SMILES for 2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid is NC(=O)c1ccc(Oc2ccc(CCNC(=O)O)c(Cl)c2)nc1.
What is the InChIKey of 2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid?
The InChIKey is DMISIPNQYLHCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c16-12-7-11(3-1-9(12)5-6-18-15(21)22)23-13-4-2-10(8-19-13)14(17)20/h1-4,7-8,18H,5-6H2,(H2,17,20)(H,21,22).
What are the key properties of 2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid?
2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid has a molecular weight of 335.75 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-carbamoyl-2-pyridinyl)oxy]-2-chlorophenyl]ethylcarbamic acid is sourced from PubChem (CID 140507713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).