6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide

C10H14N4O3 — CID 30539711

IUPAC6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H14N4O3/c1-6(2)12-9(16)5-11-10(17)7-3-4-8(15)14-13-7/h3-4,6H,5H2,1-2H3,(H,11,17)(H,12,16)(H,14,15)
InChIKeySWIAJIFFBBMWHV-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.98
Rot. Bonds4

About 6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide (PubChem CID 30539711) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
PubChem CID30539711
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C10H14N4O3/c1-6(2)12-9(16)5-11-10(17)7-3-4-8(15)14-13-7/h3-4,6H,5H2,1-2H3,(H,11,17)(H,12,16)(H,14,15)
InChIKeySWIAJIFFBBMWHV-UHFFFAOYSA-N
XLogP-0.98
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide
CID 37203450
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 27718933
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110673301
N-[(3R)-2-methylpentan-3-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94198841
N-(4-aminobutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103942956
N-(4-hydroxy-3-methylbutan-2-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 115735908
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 94182994
N-[2-(diethylamino)-4-methylpentyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 86984951
N-(1-cyanoethyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 82281497
(4-methylphenyl) 2-[(6-oxo-1H-pyridazine-3-carbonyl)amino]acetate
CID 110670526
N-[(2S)-2-(diethylamino)-3-methylbutyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 38593214
tert-butyl N-[2-oxo-2-[3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]propylamino]ethyl]carbamate
CID 108918758

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide (CID 30539711) is 6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide is CC(C)NC(=O)CNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide?
The InChIKey is SWIAJIFFBBMWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-6(2)12-9(16)5-11-10(17)7-3-4-8(15)14-13-7/h3-4,6H,5H2,1-2H3,(H,11,17)(H,12,16)(H,14,15).
What are the key properties of 6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide has a molecular weight of 238.25 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30539711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).