3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide

C13H22N4O2 — CID 120873070

IUPAC3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)CC(C)N)c1CC
InChIInChI=1S/C13H22N4O2/c1-4-9-10(7-15-12(18)6-8(3)14)13(19)17-16-11(9)5-2/h8H,4-7,14H2,1-3H3,(H,15,18)(H,17,19)
InChIKeyMPCUESPNOCVXPF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.25
Rot. Bonds6

About 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide

3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide (PubChem CID 120873070) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide
PubChem CID120873070
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide
SMILESCCc1n[nH]c(=O)c(CNC(=O)CC(C)N)c1CC
InChIInChI=1S/C13H22N4O2/c1-4-9-10(7-15-12(18)6-8(3)14)13(19)17-16-11(9)5-2/h8H,4-7,14H2,1-3H3,(H,15,18)(H,17,19)
InChIKeyMPCUESPNOCVXPF-UHFFFAOYSA-N
XLogP0.25
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-ethylurea
CID 71846788
3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-2-methyl-3-phenylpropanamide
CID 167840250
2-cyclohexyloxy-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]acetamide
CID 71917190
5-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methylcarbamoyl]thiophene-2-carboxylic acid
CID 120552216
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]urea
CID 97241974
N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-5-ethylfuran-2-carboxamide
CID 71968957
3-amino-N-[(3-ethyl-2-pyridinyl)methyl]butanamide
CID 82738689
1-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 166212514
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]butanamide;hydrochloride
CID 119694321
3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
CID 71755942
(1R)-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 125131325
2-[(3,4-diethyl-6-oxo-1H-pyridazine-5-carbonyl)-methylamino]propanoic acid
CID 119358781

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide (CID 120873070) is 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide is CCc1n[nH]c(=O)c(CNC(=O)CC(C)N)c1CC.
What is the InChIKey of 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide?
The InChIKey is MPCUESPNOCVXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-9-10(7-15-12(18)6-8(3)14)13(19)17-16-11(9)5-2/h8H,4-7,14H2,1-3H3,(H,15,18)(H,17,19).
What are the key properties of 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide?
3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide has a molecular weight of 266.34 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3,4-diethyl-6-oxo-1H-pyridazin-5-yl)methyl]butanamide is sourced from PubChem (CID 120873070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).