2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid

C14H22N4O3 — CID 115430062

IUPAC2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid
SMILESCCNC(=O)c1ccc(NCC(CC)(CC)C(=O)O)nn1
InChIInChI=1S/C14H22N4O3/c1-4-14(5-2,13(20)21)9-16-11-8-7-10(17-18-11)12(19)15-6-3/h7-8H,4-6,9H2,1-3H3,(H,15,19)(H,16,18)(H,20,21)
InChIKeyKTPKBTFJMOTVPV-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.53
Rot. Bonds8

About 2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid

2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid (PubChem CID 115430062) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid
PubChem CID115430062
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid
SMILESCCNC(=O)c1ccc(NCC(CC)(CC)C(=O)O)nn1
InChIInChI=1S/C14H22N4O3/c1-4-14(5-2,13(20)21)9-16-11-8-7-10(17-18-11)12(19)15-6-3/h7-8H,4-6,9H2,1-3H3,(H,15,19)(H,16,18)(H,20,21)
InChIKeyKTPKBTFJMOTVPV-UHFFFAOYSA-N
XLogP1.53
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(6-chloropyridazin-3-yl)amino]methyl]-2-ethylbutanoic acid
CID 115430117
N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide
CID 106898486
6-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridazine-3-carboxamide
CID 55047399
N-ethyl-6-[(1-propylcyclopropyl)methylamino]pyridazine-3-carboxamide
CID 103761722
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-ethyl-6-[(1-ethylcyclopentyl)methylamino]pyridazine-3-carboxamide
CID 103764956
N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide
CID 115690617
N-ethyl-6-(pent-1-yn-3-ylamino)pyridazine-3-carboxamide
CID 103578139
N-ethyl-6-(4-ethylsulfanylbutan-2-ylamino)pyridazine-3-carboxamide
CID 115744775
N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide
CID 115690608
4-[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]oxane-4-carboxylic acid
CID 115292167
N-[2-(dimethylamino)-2-methylpropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62177462

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid (CID 115430062) is 2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid is CCNC(=O)c1ccc(NCC(CC)(CC)C(=O)O)nn1.
What is the InChIKey of 2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid?
The InChIKey is KTPKBTFJMOTVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-4-14(5-2,13(20)21)9-16-11-8-7-10(17-18-11)12(19)15-6-3/h7-8H,4-6,9H2,1-3H3,(H,15,19)(H,16,18)(H,20,21).
What are the key properties of 2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid?
2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid has a molecular weight of 294.36 g/mol, XLogP of 1.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid is sourced from PubChem (CID 115430062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).