2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid

C18H14N4O3 — CID 71060940

IUPAC2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid
SMILESNc1ncc(-c2ccccc2C(=O)O)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C18H14N4O3/c19-16-15(17(23)22-12-5-7-20-8-6-12)9-11(10-21-16)13-3-1-2-4-14(13)18(24)25/h1-10H,(H2,19,21)(H,24,25)(H,20,22,23)
InChIKeyNOYDTSIGOXANBU-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.68
Rot. Bonds4

About 2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid

2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid (PubChem CID 71060940) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid
PubChem CID71060940
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid
SMILESNc1ncc(-c2ccccc2C(=O)O)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C18H14N4O3/c19-16-15(17(23)22-12-5-7-20-8-6-12)9-11(10-21-16)13-3-1-2-4-14(13)18(24)25/h1-10H,(H2,19,21)(H,24,25)(H,20,22,23)
InChIKeyNOYDTSIGOXANBU-UHFFFAOYSA-N
XLogP2.68
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid?
The IUPAC name of 2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid (CID 71060940) is 2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid?
The canonical SMILES for 2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid is Nc1ncc(-c2ccccc2C(=O)O)cc1C(=O)Nc1ccncc1.
What is the InChIKey of 2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid?
The InChIKey is NOYDTSIGOXANBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c19-16-15(17(23)22-12-5-7-20-8-6-12)9-11(10-21-16)13-3-1-2-4-14(13)18(24)25/h1-10H,(H2,19,21)(H,24,25)(H,20,22,23).
What are the key properties of 2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid?
2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid has a molecular weight of 334.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 71060940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).