N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide

C17H21N5O3 — CID 16671504

IUPACN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H21N5O3/c1-10(2)14(18-17(25)13-5-7-15(23)20-19-13)9-22-16(24)8-6-12(21-22)11-3-4-11/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,18,25)(H,20,23)/t14-/m1/s1
InChIKeyXKYRIFBSCKUKLJ-CQSZACIVSA-N
MW343.39 g/mol
LogP0.66
Rot. Bonds6

About N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 16671504) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID16671504
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC NameN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H21N5O3/c1-10(2)14(18-17(25)13-5-7-15(23)20-19-13)9-22-16(24)8-6-12(21-22)11-3-4-11/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,18,25)(H,20,23)/t14-/m1/s1
InChIKeyXKYRIFBSCKUKLJ-CQSZACIVSA-N
XLogP0.66
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 16671504) is N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide is CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is XKYRIFBSCKUKLJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-10(2)14(18-17(25)13-5-7-15(23)20-19-13)9-22-16(24)8-6-12(21-22)11-3-4-11/h5-8,10-11,14H,3-4,9H2,1-2H3,(H,18,25)(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 16671504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).