3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid

C20H17N3O4 — CID 11617502

IUPAC3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C20H17N3O4/c24-19(25)15-8-4-9-16(12-15)22-20(26)23-18-17(10-5-11-21-18)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)(H2,21,22,23,26)
InChIKeyWTLQFNFZJIVVKO-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.00
Rot. Bonds6

About 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid

3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid (PubChem CID 11617502) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
PubChem CID11617502
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C20H17N3O4/c24-19(25)15-8-4-9-16(12-15)22-20(26)23-18-17(10-5-11-21-18)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)(H2,21,22,23,26)
InChIKeyWTLQFNFZJIVVKO-UHFFFAOYSA-N
XLogP4.00
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid (CID 11617502) is 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid is O=C(Nc1cccc(C(=O)O)c1)Nc1ncccc1OCc1ccccc1.
What is the InChIKey of 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid?
The InChIKey is WTLQFNFZJIVVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-19(25)15-8-4-9-16(12-15)22-20(26)23-18-17(10-5-11-21-18)27-13-14-6-2-1-3-7-14/h1-12H,13H2,(H,24,25)(H2,21,22,23,26).
What are the key properties of 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid?
3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid has a molecular weight of 363.37 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 11617502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).