5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid

C20H16N2O4 — CID 53224753

IUPAC5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid
SMILESO=C(Nc1ccc(-c2cncc(C(=O)O)c2)cc1)OCc1ccccc1
InChIInChI=1S/C20H16N2O4/c23-19(24)17-10-16(11-21-12-17)15-6-8-18(9-7-15)22-20(25)26-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyFIXSUMNACSGOTP-UHFFFAOYSA-N
MW348.36 g/mol
LogP4.20
Rot. Bonds5

About 5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid

5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid (PubChem CID 53224753) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid
PubChem CID53224753
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid
SMILESO=C(Nc1ccc(-c2cncc(C(=O)O)c2)cc1)OCc1ccccc1
InChIInChI=1S/C20H16N2O4/c23-19(24)17-10-16(11-21-12-17)15-6-8-18(9-7-15)22-20(25)26-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,25)(H,23,24)
InChIKeyFIXSUMNACSGOTP-UHFFFAOYSA-N
XLogP4.20
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-[4-(phenylmethoxycarbonylamino)phenyl]benzoic acid
CID 53229105
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate
CID 53221594
benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
CID 53219805
benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate
CID 53220686
3-iodo-5-(phenylmethoxycarbonylamino)benzoic acid
CID 130535415
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
benzyl N-[4-(4-methoxy-5-oxocyclohepta-1,3,6-trien-1-yl)phenyl]carbamate
CID 22403841
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882

Frequently Asked Questions

What is the IUPAC name of 5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid (CID 53224753) is 5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid is O=C(Nc1ccc(-c2cncc(C(=O)O)c2)cc1)OCc1ccccc1.
What is the InChIKey of 5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid?
The InChIKey is FIXSUMNACSGOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c23-19(24)17-10-16(11-21-12-17)15-6-8-18(9-7-15)22-20(25)26-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,25)(H,23,24).
What are the key properties of 5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid?
5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid has a molecular weight of 348.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 53224753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).