[2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid

C20H17N3O4 — CID 69100917

IUPAC[2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2NC(=O)O)cc1
InChIInChI=1S/C20H17N3O4/c1-27-16-5-2-14(3-6-16)19(24)22-18-12-15(13-8-10-21-11-9-13)4-7-17(18)23-20(25)26/h2-12,23H,1H3,(H,22,24)(H,25,26)
InChIKeyUYETZRDQGSSQNX-UHFFFAOYSA-N
MW363.37 g/mol
LogP4.10
Rot. Bonds5

About [2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid

[2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid (PubChem CID 69100917) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is [2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid.

Molecular Properties

Compound Name[2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid
PubChem CID69100917
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name[2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid
SMILESCOc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2NC(=O)O)cc1
InChIInChI=1S/C20H17N3O4/c1-27-16-5-2-14(3-6-16)19(24)22-18-12-15(13-8-10-21-11-9-13)4-7-17(18)23-20(25)26/h2-12,23H,1H3,(H,22,24)(H,25,26)
InChIKeyUYETZRDQGSSQNX-UHFFFAOYSA-N
XLogP4.10
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)benzamide;2,2,2-trifluoroacetic acid
CID 117074156
4-methoxy-N-[4-(2-methyl-4-pyridinyl)phenyl]benzamide
CID 42640422
N-(2-amino-5-phenylphenyl)-4-methoxybenzamide;N-methylmethanamine
CID 66894745
N-(2-amino-4-methoxyphenyl)pyridine-4-carboxamide
CID 16776915
N-[2-amino-5-(4-hydroxyphenyl)phenyl]-4-methoxybenzamide
CID 59736664
N-(2,4-dimethoxyphenyl)-4-phenylbenzamide
CID 602380
[4-[4-amino-3-[(4-methoxybenzoyl)amino]phenyl]-1,3-thiazol-2-yl]carbamic acid
CID 87194810
N-(2,4-dihydroxyphenyl)-4-methoxybenzamide
CID 141075428
5-[(4-methoxybenzoyl)amino]-3-pyridin-4-yl-1,2-oxazole-4-carboxylic acid
CID 142773953
N-(2,5-dimethoxyphenyl)-4-phenylbenzamide
CID 667706
[2-[(4-methoxybenzoyl)amino]-4-thiophen-2-ylphenyl]sulfamoylcarbamic acid
CID 69101070
3-amino-4-[(4-methoxybenzoyl)amino]benzoic acid
CID 63117294

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid?
The IUPAC name of [2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid (CID 69100917) is [2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid.
What is the SMILES notation for [2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid?
The canonical SMILES for [2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid is COc1ccc(C(=O)Nc2cc(-c3ccncc3)ccc2NC(=O)O)cc1.
What is the InChIKey of [2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid?
The InChIKey is UYETZRDQGSSQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-27-16-5-2-14(3-6-16)19(24)22-18-12-15(13-8-10-21-11-9-13)4-7-17(18)23-20(25)26/h2-12,23H,1H3,(H,22,24)(H,25,26).
What are the key properties of [2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid?
[2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid has a molecular weight of 363.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxybenzoyl)amino]-4-pyridin-4-ylphenyl]carbamic acid is sourced from PubChem (CID 69100917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).