N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide

C18H24N4O — CID 109110994

IUPACN-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NCC(C)C)nn1
InChIInChI=1S/C18H24N4O/c1-4-22(13-15-8-6-5-7-9-15)18(23)16-10-11-17(21-20-16)19-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,21)
InChIKeyIQLFOGRZVJBHQR-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.21
Rot. Bonds7

About N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide

N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide (PubChem CID 109110994) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
PubChem CID109110994
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(NCC(C)C)nn1
InChIInChI=1S/C18H24N4O/c1-4-22(13-15-8-6-5-7-9-15)18(23)16-10-11-17(21-20-16)19-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,21)
InChIKeyIQLFOGRZVJBHQR-UHFFFAOYSA-N
XLogP3.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-6-hydrazinylpyridazine-3-carboxamide
CID 62243834
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118471
N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120158
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
N-benzyl-N-ethyl-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109120582
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide
CID 109120619
N-ethyl-6-(methylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62168964
N-benzyl-6-(tert-butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109124715
N,N-diethyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109120969
N,N-diethyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118261
N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide (CID 109110994) is N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(NCC(C)C)nn1.
What is the InChIKey of N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide?
The InChIKey is IQLFOGRZVJBHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-22(13-15-8-6-5-7-9-15)18(23)16-10-11-17(21-20-16)19-12-14(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,19,21).
What are the key properties of N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide?
N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).