4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid

C14H15N3O2 — CID 61449371

IUPAC4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid
SMILESCCN(Cc1ccncc1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H15N3O2/c1-2-17(10-11-3-6-15-7-4-11)12-5-8-16-13(9-12)14(18)19/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyZUZNSXJPDFLZGB-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.20
Rot. Bonds5

About 4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid

4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid (PubChem CID 61449371) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid
PubChem CID61449371
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid
SMILESCCN(Cc1ccncc1)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H15N3O2/c1-2-17(10-11-3-6-15-7-4-11)12-5-8-16-13(9-12)14(18)19/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyZUZNSXJPDFLZGB-UHFFFAOYSA-N
XLogP2.20
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
CID 55009203
4-[benzyl(ethyl)amino]-N-propan-2-ylpyridine-2-carboxamide
CID 109201321
4-N-ethyl-2-N-methyl-4-N-(pyridin-4-ylmethyl)pyridine-2,4-diamine
CID 113367608
2-[ethyl(pyridin-4-ylmethyl)amino]-5-methylbenzoic acid
CID 62515879
4-[benzyl(ethyl)amino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109212580
[4-[benzyl(ethyl)amino]-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206409
[4-[benzyl(ethyl)amino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205094
4-[ethyl(pyridin-4-ylmethyl)amino]-6-methylpyridine-3-carboxylic acid
CID 81233499
4-[benzyl(ethyl)amino]-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109212623
4-[benzyl(ethyl)amino]-N-cyclopentylpyridine-2-carboxamide
CID 109204016
3-[ethyl(pyridin-4-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 62701844
3-chloro-2-[ethyl(pyridin-4-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062384

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid (CID 61449371) is 4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid is CCN(Cc1ccncc1)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid?
The InChIKey is ZUZNSXJPDFLZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-2-17(10-11-3-6-15-7-4-11)12-5-8-16-13(9-12)14(18)19/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid?
4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 2.20, 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]pyridine-2-carboxylic acid is sourced from PubChem (CID 61449371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).