methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid

C14H16N2O3 — CID 178157610

IUPACmethane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid
SMILESC.COc1cc(Nc2ccncc2)cc(C(=O)O)c1
InChIInChI=1S/C13H12N2O3.CH4/c1-18-12-7-9(13(16)17)6-11(8-12)15-10-2-4-14-5-3-10;/h2-8H,1H3,(H,14,15)(H,16,17);1H4
InChIKeyFWPHMBRKIWHGRJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.17
Rot. Bonds4

About methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid

methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid (PubChem CID 178157610) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid.

Molecular Properties

Compound Namemethane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid
PubChem CID178157610
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid
SMILESC.COc1cc(Nc2ccncc2)cc(C(=O)O)c1
InChIInChI=1S/C13H12N2O3.CH4/c1-18-12-7-9(13(16)17)6-11(8-12)15-10-2-4-14-5-3-10;/h2-8H,1H3,(H,14,15)(H,16,17);1H4
InChIKeyFWPHMBRKIWHGRJ-UHFFFAOYSA-N
XLogP3.17
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyanilino)pyridine-3-carboxylic acid
CID 82535078
4-(3-methoxy-5-nitroanilino)benzoic acid
CID 80742746
bis(4-[3,5-bis(4-carboxyanilino)anilino]benzoic acid);methanol;4-(2-pyridin-4-ylethyl)pyridine
CID 139178984
dimethyl 5-(4-methoxyanilino)benzene-1,3-dicarboxylate
CID 155291103
4-[(2-methoxycarbonyl-4-pyridinyl)amino]benzoic acid
CID 66288598
4-methoxybenzoic acid;pyridine
CID 174860408
3-methoxy-5-(phenylmethoxycarbonylamino)benzoic acid
CID 68546183
N-[2-(4-methoxyphenyl)ethyl]-3-(pyridin-4-ylamino)benzamide
CID 117092507
5-(4-hydroxyanilino)benzene-1,3-dicarboxylic acid
CID 118352492
6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 82861205
ethane;formamide;methyl 3-(pyridin-4-ylamino)benzoate
CID 143301248
3-[(7-bromo-3-carbamoylquinolin-4-yl)amino]-5-methoxybenzoic acid
CID 67513645

Frequently Asked Questions

What is the IUPAC name of methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid?
The IUPAC name of methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid (CID 178157610) is methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid.
What is the SMILES notation for methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid?
The canonical SMILES for methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid is C.COc1cc(Nc2ccncc2)cc(C(=O)O)c1.
What is the InChIKey of methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid?
The InChIKey is FWPHMBRKIWHGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3.CH4/c1-18-12-7-9(13(16)17)6-11(8-12)15-10-2-4-14-5-3-10;/h2-8H,1H3,(H,14,15)(H,16,17);1H4.
What are the key properties of methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid?
methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid has a molecular weight of 260.29 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid is sourced from PubChem (CID 178157610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).