2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid

C17H14N4O2 — CID 167890213

IUPAC2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCc1cccc(-c2ccccn2)n1
InChIInChI=1S/C17H14N4O2/c22-17(23)13-6-4-10-19-16(13)20-11-12-5-3-8-15(21-12)14-7-1-2-9-18-14/h1-10H,11H2,(H,19,20)(H,22,23)
InChIKeyGRIZNBSTIZJCTH-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.85
Rot. Bonds5

About 2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid

2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid (PubChem CID 167890213) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid
PubChem CID167890213
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCc1cccc(-c2ccccn2)n1
InChIInChI=1S/C17H14N4O2/c22-17(23)13-6-4-10-19-16(13)20-11-12-5-3-8-15(21-12)14-7-1-2-9-18-14/h1-10H,11H2,(H,19,20)(H,22,23)
InChIKeyGRIZNBSTIZJCTH-UHFFFAOYSA-N
XLogP2.85
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62228145
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
3-amino-2-(pyridin-2-ylmethylamino)benzoic acid
CID 112577849
2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid
CID 166399673
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid
CID 167970694
N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide
CID 163408106
2-(pyridine-2-carbonylamino)pyridine-3-carboxylic acid
CID 63654263
6-methyl-N-[(6-pyridin-2-yl-2-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 138014265
2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 69265593
bis[2-(2-pyridin-2-ylethylamino)-3-pyridinyl]methanone
CID 67101566

Frequently Asked Questions

What is the IUPAC name of 2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid (CID 167890213) is 2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1NCc1cccc(-c2ccccn2)n1.
What is the InChIKey of 2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid?
The InChIKey is GRIZNBSTIZJCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c22-17(23)13-6-4-10-19-16(13)20-11-12-5-3-8-15(21-12)14-7-1-2-9-18-14/h1-10H,11H2,(H,19,20)(H,22,23).
What are the key properties of 2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid?
2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid has a molecular weight of 306.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 167890213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).