2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid

C19H15N3O3 — CID 110097479

IUPAC2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid
SMILESO=C(NCc1ccc(-c2ccccc2C(=O)O)cn1)c1ccncc1
InChIInChI=1S/C19H15N3O3/c23-18(13-7-9-20-10-8-13)22-12-15-6-5-14(11-21-15)16-3-1-2-4-17(16)19(24)25/h1-11H,12H2,(H,22,23)(H,24,25)
InChIKeyWMAARJGLURJHLP-UHFFFAOYSA-N
MW333.35 g/mol
LogP2.77
Rot. Bonds5

About 2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid

2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid (PubChem CID 110097479) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid
PubChem CID110097479
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid
SMILESO=C(NCc1ccc(-c2ccccc2C(=O)O)cn1)c1ccncc1
InChIInChI=1S/C19H15N3O3/c23-18(13-7-9-20-10-8-13)22-12-15-6-5-14(11-21-15)16-3-1-2-4-17(16)19(24)25/h1-11H,12H2,(H,22,23)(H,24,25)
InChIKeyWMAARJGLURJHLP-UHFFFAOYSA-N
XLogP2.77
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-3-pyridinyl]benzoic acid
CID 110097483
2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid
CID 155983217
N-[(2-phenylphenyl)methyl]pyridine-4-carboxamide
CID 23497805
N-[4-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide;2-[4-(trifluoromethyl)phenyl]benzoic acid
CID 86591518
N-benzylpyridine-4-carboxamide;hydrochloride
CID 110755427
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
2-[2-[(pyridine-4-carbonylamino)methyl]phenyl]acetic acid
CID 81317965
N-benzyl-4-[2-(benzylamino)pyrimidin-5-yl]benzamide
CID 53108687
N-[(3-pyridin-4-ylpyrazin-2-yl)methyl]benzamide
CID 126854250
N-[[5-(2-cyanophenyl)-2-pyridinyl]methyl]acetamide
CID 143478895
5-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[4-(pyridin-4-ylmethylcarbamoyl)phenyl]benzoic acid
CID 71537774
2-(pyridine-4-carbonylamino)pyridine-3-carboxylic acid
CID 55246558

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid?
The IUPAC name of 2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid (CID 110097479) is 2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid.
What is the SMILES notation for 2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid?
The canonical SMILES for 2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid is O=C(NCc1ccc(-c2ccccc2C(=O)O)cn1)c1ccncc1.
What is the InChIKey of 2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid?
The InChIKey is WMAARJGLURJHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c23-18(13-7-9-20-10-8-13)22-12-15-6-5-14(11-21-15)16-3-1-2-4-17(16)19(24)25/h1-11H,12H2,(H,22,23)(H,24,25).
What are the key properties of 2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid?
2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid has a molecular weight of 333.35 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid is sourced from PubChem (CID 110097479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).