2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid

C18H15N3O2 — CID 155983217

IUPAC2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CNc2ccccn2)nc1
InChIInChI=1S/C18H15N3O2/c22-18(23)16-6-2-1-5-15(16)13-8-9-14(20-11-13)12-21-17-7-3-4-10-19-17/h1-11H,12H2,(H,19,21)(H,22,23)
InChIKeyXKSODOINPTUKHR-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.45
Rot. Bonds5

About 2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid

2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid (PubChem CID 155983217) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid
PubChem CID155983217
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CNc2ccccn2)nc1
InChIInChI=1S/C18H15N3O2/c22-18(23)16-6-2-1-5-15(16)13-8-9-14(20-11-13)12-21-17-7-3-4-10-19-17/h1-11H,12H2,(H,19,21)(H,22,23)
InChIKeyXKSODOINPTUKHR-UHFFFAOYSA-N
XLogP3.45
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-[(pyridine-4-carbonylamino)methyl]-3-pyridinyl]benzoic acid
CID 110097479
2-[6-[[(1-methylpyrazole-4-carbonyl)amino]methyl]-3-pyridinyl]benzoic acid
CID 110097483
methyl 2-[4-[(pyridin-2-ylamino)methyl]phenyl]benzenecarboperoxoate
CID 58657334
3-amino-2-(pyridin-2-ylmethylamino)benzoic acid
CID 112577849
4-(4-chlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxylic acid
CID 163349835
2-[6-[(5-tert-butyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridinyl]benzoic acid
CID 18701392
2-chloro-4-[6-(pyridin-2-ylmethylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]benzoic acid
CID 70719891
N-benzyl-5-phenylpyridin-2-amine
CID 24949412
2-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012661
2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113041994
2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 167890213
2-(2-pyridin-2-yl-3-pyridinyl)benzoic acid
CID 141463782

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid?
The IUPAC name of 2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid (CID 155983217) is 2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid.
What is the SMILES notation for 2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid?
The canonical SMILES for 2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid is O=C(O)c1ccccc1-c1ccc(CNc2ccccn2)nc1.
What is the InChIKey of 2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid?
The InChIKey is XKSODOINPTUKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-18(23)16-6-2-1-5-15(16)13-8-9-14(20-11-13)12-21-17-7-3-4-10-19-17/h1-11H,12H2,(H,19,21)(H,22,23).
What are the key properties of 2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid?
2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid has a molecular weight of 305.34 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(pyridin-2-ylamino)methyl]-3-pyridinyl]benzoic acid is sourced from PubChem (CID 155983217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).