N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide

C13H21N5O2 — CID 115690617

IUPACN-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NCCC(=O)NC(C)C)nn1
InChIInChI=1S/C13H21N5O2/c1-4-14-13(20)10-5-6-11(18-17-10)15-8-7-12(19)16-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,20)(H,15,18)(H,16,19)
InChIKeyNITHPMKHKCYCBZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.55
Rot. Bonds7

About N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide

N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide (PubChem CID 115690617) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide
PubChem CID115690617
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide
SMILESCCNC(=O)c1ccc(NCCC(=O)NC(C)C)nn1
InChIInChI=1S/C13H21N5O2/c1-4-14-13(20)10-5-6-11(18-17-10)15-8-7-12(19)16-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,20)(H,15,18)(H,16,19)
InChIKeyNITHPMKHKCYCBZ-UHFFFAOYSA-N
XLogP0.55
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62177406
6-(butylamino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109597
6-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]pyridazine-3-carboxamide
CID 55047399
N-[3-(methylamino)-3-oxopropyl]-6-(propylamino)pyridazine-3-carboxamide
CID 62175032
N-propyl-6-(propylamino)pyridazine-3-carboxamide
CID 62172507
N-pentan-2-yl-6-(propylamino)pyridazine-3-carboxamide
CID 62185105
6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide
CID 113450833
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide
CID 106898486
6-(3-methylbutylamino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111229
N-ethyl-6-(3-pyrazol-1-ylpropylamino)pyridazine-3-carboxamide
CID 115690608
2-ethyl-2-[[[6-(ethylcarbamoyl)pyridazin-3-yl]amino]methyl]butanoic acid
CID 115430062

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide?
The IUPAC name of N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide (CID 115690617) is N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide is CCNC(=O)c1ccc(NCCC(=O)NC(C)C)nn1.
What is the InChIKey of N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide?
The InChIKey is NITHPMKHKCYCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-4-14-13(20)10-5-6-11(18-17-10)15-8-7-12(19)16-9(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,14,20)(H,15,18)(H,16,19).
What are the key properties of N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide?
N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[[3-oxo-3-(propan-2-ylamino)propyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 115690617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).