N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide

C14H16N4O2 — CID 110704750

IUPACN-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide
SMILESCCN(CCc1ccncc1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H16N4O2/c1-2-18(10-7-11-5-8-15-9-6-11)14(20)12-3-4-13(19)17-16-12/h3-6,8-9H,2,7,10H2,1H3,(H,17,19)
InChIKeyJDVNMLOHYFBOTR-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.87
Rot. Bonds5

About N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide

N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide (PubChem CID 110704750) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide
PubChem CID110704750
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide
SMILESCCN(CCc1ccncc1)C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H16N4O2/c1-2-18(10-7-11-5-8-15-9-6-11)14(20)12-3-4-13(19)17-16-12/h3-6,8-9H,2,7,10H2,1H3,(H,17,19)
InChIKeyJDVNMLOHYFBOTR-UHFFFAOYSA-N
XLogP0.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-4H-1,2,4-triazole-3-carboxamide
CID 136849774
N-ethyl-5-oxo-N-(2-pyridin-4-ylethyl)-1,2-dihydropyrazole-3-carboxamide
CID 110600687
N,N,N'-triethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108526067
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692317
N-(3-amino-2-methylpropyl)-N-ethyl-6-oxo-1H-pyridazine-3-carboxamide
CID 114040760
3-(cyanomethyl)-1-ethyl-1-(2-pyridin-4-ylethyl)urea
CID 108864796
N-ethyl-2-oxo-N-(2-pyridin-4-ylethyl)-1H-quinoline-4-carboxamide
CID 110694438
N-ethyl-N-[(3-fluorophenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 51189967
2-bromo-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110755663
3,4-diamino-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 82183845
N-ethyl-5-(furan-2-yl)-1-methyl-N-(2-pyridin-4-ylethyl)pyrazole-3-carboxamide
CID 110678671
4-acetamido-N-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 110757168

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide (CID 110704750) is N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide is CCN(CCc1ccncc1)C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide?
The InChIKey is JDVNMLOHYFBOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-18(10-7-11-5-8-15-9-6-11)14(20)12-3-4-13(19)17-16-12/h3-6,8-9H,2,7,10H2,1H3,(H,17,19).
What are the key properties of N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide?
N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-oxo-N-(2-pyridin-4-ylethyl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110704750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).