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

C20H17N3O4 — CID 11602993

IUPAC2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C20H17N3O4/c24-19(25)15-9-4-5-10-16(15)22-20(26)23-18-17(11-6-12-21-18)27-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25)(H2,21,22,23,26)
InChIKeyOHGPTRSIFLGIJX-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.00
Rot. Bonds6

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

2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid (PubChem CID 11602993) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
PubChem CID11602993
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)Nc1ncccc1OCc1ccccc1
InChIInChI=1S/C20H17N3O4/c24-19(25)15-9-4-5-10-16(15)22-20(26)23-18-17(11-6-12-21-18)27-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25)(H2,21,22,23,26)
InChIKeyOHGPTRSIFLGIJX-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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Related Compounds

1-(3-phenylmethoxy-2-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 11501398
N-(3-phenylmethoxy-2-pyridinyl)cyclopropanecarboxamide
CID 3532731
2-phenoxy-N-(3-phenylmethoxy-2-pyridinyl)propanamide
CID 73441719
2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 59783787
1-phenyl-3-(3-phenylmethoxy-2-pyridinyl)thiourea
CID 11674430
1-benzyl-3-[3-[(3-chlorophenyl)methoxy]-2-pyridinyl]urea
CID 72545413
N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 84558977
1-(3-phenylmethoxy-2-pyridinyl)-3-propan-2-ylthiourea
CID 142715572
1-[3-[(4-chlorophenyl)methoxy]-2-pyridinyl]-3-(3,4-dichlorophenyl)urea
CID 142715637
ethyl N-[1-[(3-phenylmethoxy-2-pyridinyl)amino]ethenyl]carbamate
CID 139362692
2-(4-phenylmethoxybutanoylamino)pyridine-3-carboxylic acid
CID 23151222
3,5-ditert-butyl-4-hydroxy-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 139945086

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid?
The IUPAC name of 2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid (CID 11602993) is 2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid?
The canonical SMILES for 2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid is O=C(Nc1ccccc1C(=O)O)Nc1ncccc1OCc1ccccc1.
What is the InChIKey of 2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid?
The InChIKey is OHGPTRSIFLGIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c24-19(25)15-9-4-5-10-16(15)22-20(26)23-18-17(11-6-12-21-18)27-13-14-7-2-1-3-8-14/h1-12H,13H2,(H,24,25)(H2,21,22,23,26).
What are the key properties of 2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid?
2-[(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 2-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 11602993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).