4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid

C15H17N3O2 — CID 81233499

IUPAC4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCCN(Cc1ccncc1)c1cc(C)ncc1C(=O)O
InChIInChI=1S/C15H17N3O2/c1-3-18(10-12-4-6-16-7-5-12)14-8-11(2)17-9-13(14)15(19)20/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyYYORFBDHYAINAM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.51
Rot. Bonds5

About 4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid

4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid (PubChem CID 81233499) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
PubChem CID81233499
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
SMILESCCN(Cc1ccncc1)c1cc(C)ncc1C(=O)O
InChIInChI=1S/C15H17N3O2/c1-3-18(10-12-4-6-16-7-5-12)14-8-11(2)17-9-13(14)15(19)20/h4-9H,3,10H2,1-2H3,(H,19,20)
InChIKeyYYORFBDHYAINAM-UHFFFAOYSA-N
XLogP2.51
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid
CID 62515879
4-(dipropylamino)-6-methylpyridine-3-carboxylic acid
CID 81233201
4-[3-(diethylamino)propyl-ethylamino]-6-methylpyridine-3-carboxylic acid
CID 102994015
4-[2-ethoxyethyl(ethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81244374
6-methyl-4-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 81233138
4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 61449371
4-chloro-N-ethyl-6-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 81227477
3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062384
6-methyl-4-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid
CID 81232379
3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 62701844
2-[ethyl(pyridin-4-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753136
4-[(4-methoxyphenyl)methyl-methylamino]-6-methylpyridine-3-carboxylic acid
CID 81229074

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid (CID 81233499) is 4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid is CCN(Cc1ccncc1)c1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid?
The InChIKey is YYORFBDHYAINAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-18(10-12-4-6-16-7-5-12)14-8-11(2)17-9-13(14)15(19)20/h4-9H,3,10H2,1-2H3,(H,19,20).
What are the key properties of 4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid?
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81233499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).