4-carbamoylbenzoic acid;pyridine-3-carboxamide

C14H13N3O4 — CID 70159642

IUPAC4-carbamoylbenzoic acid;pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(=O)O)cc1.NC(=O)c1cccnc1
InChIInChI=1S/C8H7NO3.C6H6N2O/c9-7(10)5-1-3-6(4-2-5)8(11)12;7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,9,10)(H,11,12);1-4H,(H2,7,9)
InChIKeyQQLVOVZOKQKAOL-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.66
Rot. Bonds3

About 4-carbamoylbenzoic acid;pyridine-3-carboxamide

4-carbamoylbenzoic acid;pyridine-3-carboxamide (PubChem CID 70159642) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-carbamoylbenzoic acid;pyridine-3-carboxamide.

Molecular Properties

Compound Name4-carbamoylbenzoic acid;pyridine-3-carboxamide
PubChem CID70159642
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name4-carbamoylbenzoic acid;pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(=O)O)cc1.NC(=O)c1cccnc1
InChIInChI=1S/C8H7NO3.C6H6N2O/c9-7(10)5-1-3-6(4-2-5)8(11)12;7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,9,10)(H,11,12);1-4H,(H2,7,9)
InChIKeyQQLVOVZOKQKAOL-UHFFFAOYSA-N
XLogP0.66
TPSA136.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-aminobenzoic acid;pyridine-3-carboxamide
CID 23082444
benzene;pyridine-3-carboxamide
CID 66766032
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CID 69110411
methane;pyridine-3-carboxamide
CID 19390506
CID 175154223
CID 175154223
azane;platinum(4+);pyridine-3-carboxamide;dichloride
CID 71548674
butanedioic acid;pyridine-3-carboxamide
CID 159465776
potassium;ethene;pyridine-3-carboxamide
CID 174767244
CID 157283677
CID 157283677
nickel;pyridine-3-carboxylic acid
CID 174049937
benzenesulfonic acid;pyridine-3-carboxamide
CID 157114692
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176

Frequently Asked Questions

What is the IUPAC name of 4-carbamoylbenzoic acid;pyridine-3-carboxamide?
The IUPAC name of 4-carbamoylbenzoic acid;pyridine-3-carboxamide (CID 70159642) is 4-carbamoylbenzoic acid;pyridine-3-carboxamide.
What is the SMILES notation for 4-carbamoylbenzoic acid;pyridine-3-carboxamide?
The canonical SMILES for 4-carbamoylbenzoic acid;pyridine-3-carboxamide is NC(=O)c1ccc(C(=O)O)cc1.NC(=O)c1cccnc1.
What is the InChIKey of 4-carbamoylbenzoic acid;pyridine-3-carboxamide?
The InChIKey is QQLVOVZOKQKAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3.C6H6N2O/c9-7(10)5-1-3-6(4-2-5)8(11)12;7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,9,10)(H,11,12);1-4H,(H2,7,9).
What are the key properties of 4-carbamoylbenzoic acid;pyridine-3-carboxamide?
4-carbamoylbenzoic acid;pyridine-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoylbenzoic acid;pyridine-3-carboxamide is sourced from PubChem (CID 70159642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).