N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide

C20H21N5O3 — CID 126934650

IUPACN-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1ccc(=O)n(C2CCC(NC(=O)c3n[nH]c(=O)c4ccccc34)CC2)n1
InChIInChI=1S/C20H21N5O3/c1-12-6-11-17(26)25(24-12)14-9-7-13(8-10-14)21-20(28)18-15-4-2-3-5-16(15)19(27)23-22-18/h2-6,11,13-14H,7-10H2,1H3,(H,21,28)(H,23,27)
InChIKeyGJQRJYNHGHQCSJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.70
Rot. Bonds3

About N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 126934650) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID126934650
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC NameN-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1ccc(=O)n(C2CCC(NC(=O)c3n[nH]c(=O)c4ccccc34)CC2)n1
InChIInChI=1S/C20H21N5O3/c1-12-6-11-17(26)25(24-12)14-9-7-13(8-10-14)21-20(28)18-15-4-2-3-5-16(15)19(27)23-22-18/h2-6,11,13-14H,7-10H2,1H3,(H,21,28)(H,23,27)
InChIKeyGJQRJYNHGHQCSJ-UHFFFAOYSA-N
XLogP1.70
TPSA109.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrimidine-2-carboxamide
CID 126934619
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 126934601
N-[4-[6-oxo-3-(1,2,4-triazol-1-yl)pyridazin-1-yl]cyclohexyl]-1H-indazole-3-carboxamide
CID 126937224
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126934572
2-methyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 126934567
1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934624
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137193676
4-oxo-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-3H-phthalazine-1-carboxamide
CID 138992263
N-[4-(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)cyclohexyl]-1H-indazole-3-carboxamide
CID 126935985
N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95386223
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
N-(1-cyclopropylethyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43400571

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 126934650) is N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide is Cc1ccc(=O)n(C2CCC(NC(=O)c3n[nH]c(=O)c4ccccc34)CC2)n1.
What is the InChIKey of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is GJQRJYNHGHQCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-12-6-11-17(26)25(24-12)14-9-7-13(8-10-14)21-20(28)18-15-4-2-3-5-16(15)19(27)23-22-18/h2-6,11,13-14H,7-10H2,1H3,(H,21,28)(H,23,27).
What are the key properties of N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 126934650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).