(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid

C14H13ClN2O3 — CID 66997017

IUPAC(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid
SMILESCOc1ccc(Cl)cc1N(Cc1ccncc1)C(=O)O
InChIInChI=1S/C14H13ClN2O3/c1-20-13-3-2-11(15)8-12(13)17(14(18)19)9-10-4-6-16-7-5-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyYZKWQUPGJJIFPR-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.43
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid

(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid (PubChem CID 66997017) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid
PubChem CID66997017
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid
SMILESCOc1ccc(Cl)cc1N(Cc1ccncc1)C(=O)O
InChIInChI=1S/C14H13ClN2O3/c1-20-13-3-2-11(15)8-12(13)17(14(18)19)9-10-4-6-16-7-5-10/h2-8H,9H2,1H3,(H,18,19)
InChIKeyYZKWQUPGJJIFPR-UHFFFAOYSA-N
XLogP3.43
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-5-chloro-2-methoxyanilino)-N-(pyridin-4-ylmethyl)propanamide
CID 113128502
4-methoxy-3-[methyl(pyridin-4-ylmethyl)amino]benzoic acid
CID 82123949
pyridin-4-yl(pyridin-4-ylmethyl)carbamic acid
CID 66997302
3-amino-N-(5-chloro-2-methoxyphenyl)-N-ethylpropanamide
CID 28795390
1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylethanol
CID 55116184
3-[5-chloro-N-(cyclopropanecarbonyl)-2-methoxyanilino]propanoic acid
CID 82321223
N-(5-chloro-2-methoxyphenyl)-N-methylcarbamoyl chloride
CID 115194462
2-(5-chloro-2-methoxyphenyl)-N-ethyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110767251
4-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
CID 63083019
3-(5-chloro-N-formyl-2-methoxyanilino)propanoic acid
CID 20848120
N'-(5-chloro-2-methoxyphenyl)-N'-methylmethanediamine
CID 115225518
N-(5-chloro-2-phenylmethoxyphenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 143430294

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid (CID 66997017) is (5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid is COc1ccc(Cl)cc1N(Cc1ccncc1)C(=O)O.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid?
The InChIKey is YZKWQUPGJJIFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-20-13-3-2-11(15)8-12(13)17(14(18)19)9-10-4-6-16-7-5-10/h2-8H,9H2,1H3,(H,18,19).
What are the key properties of (5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid?
(5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid has a molecular weight of 292.72 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(pyridin-4-ylmethyl)carbamic acid is sourced from PubChem (CID 66997017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).