4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid

C17H18N2O4 — CID 110493768

IUPAC4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid
SMILESCCCOc1ccc(C(=O)O)cc1NC(=O)Cc1ccncc1
InChIInChI=1S/C17H18N2O4/c1-2-9-23-15-4-3-13(17(21)22)11-14(15)19-16(20)10-12-5-7-18-8-6-12/h3-8,11H,2,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyQGHKSVOHVHWYGX-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.75
Rot. Bonds7

About 4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid

4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid (PubChem CID 110493768) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid.

Molecular Properties

Compound Name4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid
PubChem CID110493768
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid
SMILESCCCOc1ccc(C(=O)O)cc1NC(=O)Cc1ccncc1
InChIInChI=1S/C17H18N2O4/c1-2-9-23-15-4-3-13(17(21)22)11-14(15)19-16(20)10-12-5-7-18-8-6-12/h3-8,11H,2,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyQGHKSVOHVHWYGX-UHFFFAOYSA-N
XLogP2.75
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110504278
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CID 82156414
3-(dimethylsulfamoylamino)-4-propoxybenzoic acid
CID 110504303
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716
3-[(3-cyanobenzoyl)amino]-4-propoxybenzoic acid
CID 110493770
bis(4-propoxybenzoic acid);4-(2-pyridin-4-ylethyl)pyridine
CID 139087732
3-amino-4-(3-pyridin-4-ylpropoxy)benzoic acid
CID 60987478
3-methyl-4-(3-pyridin-4-ylpropoxy)benzoic acid
CID 62702591
3-[2-(diethylamino)ethylamino]-4-propoxybenzoic acid
CID 174756826
2-(5-acetyl-2-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 16557123
N-(5-acetyl-2-propoxyphenyl)-2-ethylbutanamide
CID 82156416
4-iodo-3-propoxybenzoic acid
CID 68960644

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid?
The IUPAC name of 4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid (CID 110493768) is 4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid.
What is the SMILES notation for 4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid?
The canonical SMILES for 4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid is CCCOc1ccc(C(=O)O)cc1NC(=O)Cc1ccncc1.
What is the InChIKey of 4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid?
The InChIKey is QGHKSVOHVHWYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-2-9-23-15-4-3-13(17(21)22)11-14(15)19-16(20)10-12-5-7-18-8-6-12/h3-8,11H,2,9-10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid?
4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid has a molecular weight of 314.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-3-[(2-pyridin-4-ylacetyl)amino]benzoic acid is sourced from PubChem (CID 110493768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).