2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid

C15H17N3O2 — CID 118909984

IUPAC2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(CNCCc2ccccn2)n1
InChIInChI=1S/C15H17N3O2/c1-11-8-12(15(19)20)9-14(18-11)10-16-7-5-13-4-2-3-6-17-13/h2-4,6,8-9,16H,5,7,10H2,1H3,(H,19,20)
InChIKeyISGRIHPCWRGMCX-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.82
Rot. Bonds6

About 2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid

2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid (PubChem CID 118909984) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid
PubChem CID118909984
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)cc(CNCCc2ccccn2)n1
InChIInChI=1S/C15H17N3O2/c1-11-8-12(15(19)20)9-14(18-11)10-16-7-5-13-4-2-3-6-17-13/h2-4,6,8-9,16H,5,7,10H2,1H3,(H,19,20)
InChIKeyISGRIHPCWRGMCX-UHFFFAOYSA-N
XLogP1.82
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 113378528
4-[(2-pyridin-2-ylethylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103233886
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
acetic acid;N-(2-pyridin-2-ylethyl)octan-1-amine
CID 71328789
N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 106816068
2-pyridin-2-yl-N-[[7-[(2-pyridin-2-ylethylamino)methyl]-1,8-naphthyridin-2-yl]methyl]ethanamine
CID 15544455
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
6-methyl-4-(2-pyridin-2-ylethylamino)pyridine-3-carboxylic acid
CID 81233304
tert-butyl 2-(2-pyridin-2-ylethylamino)acetate
CID 60680814
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
1-(4-methylphenyl)-3-(pyridin-2-ylmethylamino)propan-1-one
CID 94270980
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid (CID 118909984) is 2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid is Cc1cc(C(=O)O)cc(CNCCc2ccccn2)n1.
What is the InChIKey of 2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid?
The InChIKey is ISGRIHPCWRGMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-8-12(15(19)20)9-14(18-11)10-16-7-5-13-4-2-3-6-17-13/h2-4,6,8-9,16H,5,7,10H2,1H3,(H,19,20).
What are the key properties of 2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid?
2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-pyridin-2-ylethylamino)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 118909984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).