3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid

C14H16N4O2 — CID 80517126

IUPAC3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid
SMILESCCN(Cc1cccc(C)n1)c1nnccc1C(=O)O
InChIInChI=1S/C14H16N4O2/c1-3-18(9-11-6-4-5-10(2)16-11)13-12(14(19)20)7-8-15-17-13/h4-8H,3,9H2,1-2H3,(H,19,20)
InChIKeyJTYMLQDGLQRDPK-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.90
Rot. Bonds5

About 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid

3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid (PubChem CID 80517126) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid
PubChem CID80517126
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid
SMILESCCN(Cc1cccc(C)n1)c1nnccc1C(=O)O
InChIInChI=1S/C14H16N4O2/c1-3-18(9-11-6-4-5-10(2)16-11)13-12(14(19)20)7-8-15-17-13/h4-8H,3,9H2,1-2H3,(H,19,20)
InChIKeyJTYMLQDGLQRDPK-UHFFFAOYSA-N
XLogP1.90
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[ethyl(furan-2-ylmethyl)amino]pyridazine-4-carboxylic acid
CID 80516869
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]benzoic acid
CID 102823192
3,5,6-trichloro-N-ethyl-N-[(6-methyl-2-pyridinyl)methyl]pyridin-2-amine
CID 102751537
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyrimidine-4-carbothioamide
CID 107547773
2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-2-methylpropanoic acid
CID 79261729
3-[(3-fluorophenyl)methyl-methylamino]pyridazine-4-carboxylic acid
CID 80517596
3-[methyl(propyl)amino]pyridazine-4-carboxylic acid
CID 80517652
ethyl 2-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 80568795
6-methyl-4-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridine-3-carboxylic acid
CID 81244047
N-ethyl-6-hydrazinyl-2,5-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 80929470
3-(N-ethyl-2-fluoroanilino)pyridazine-4-carboxylic acid
CID 80516767
N-methyl-N-[(6-methyl-2-pyridinyl)methyl]acetamide
CID 23402951

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid (CID 80517126) is 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid is CCN(Cc1cccc(C)n1)c1nnccc1C(=O)O.
What is the InChIKey of 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid?
The InChIKey is JTYMLQDGLQRDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-3-18(9-11-6-4-5-10(2)16-11)13-12(14(19)20)7-8-15-17-13/h4-8H,3,9H2,1-2H3,(H,19,20).
What are the key properties of 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid?
3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(6-methyl-2-pyridinyl)methyl]amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).