2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid

C12H11N3O2 — CID 29037275

IUPAC2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C12H11N3O2/c16-12(17)10-3-5-14-11(6-10)15-8-9-2-1-4-13-7-9/h1-7H,8H2,(H,14,15)(H,16,17)
InChIKeyCZHCCLUTJQLCFT-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.79
Rot. Bonds4

About 2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid

2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid (PubChem CID 29037275) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
PubChem CID29037275
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(NCc2cccnc2)c1
InChIInChI=1S/C12H11N3O2/c16-12(17)10-3-5-14-11(6-10)15-8-9-2-1-4-13-7-9/h1-7H,8H2,(H,14,15)(H,16,17)
InChIKeyCZHCCLUTJQLCFT-UHFFFAOYSA-N
XLogP1.79
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171978
N-butyl-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109165425
N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171963
N-(2,5-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171976
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
N-[2-(3-chlorophenyl)ethyl]-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171926
2-[(4-methyl-3-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114956408
N-(4-bromo-2-methylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171966
2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
CID 29036481
N-(2-morpholin-4-ylphenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171960
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid (CID 29037275) is 2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid is O=C(O)c1ccnc(NCc2cccnc2)c1.
What is the InChIKey of 2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid?
The InChIKey is CZHCCLUTJQLCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12(17)10-3-5-14-11(6-10)15-8-9-2-1-4-13-7-9/h1-7H,8H2,(H,14,15)(H,16,17).
What are the key properties of 2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid?
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid has a molecular weight of 229.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 29037275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).