1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide

C21H24N6O2 — CID 98135028

IUPAC1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCC(c3[nH]ncc3-c3ccncc3)CC2)ccc1=O
InChIInChI=1S/C21H24N6O2/c1-27-19(28)7-6-18(26-27)21(29)23-12-14-2-4-16(5-3-14)20-17(13-24-25-20)15-8-10-22-11-9-15/h6-11,13-14,16H,2-5,12H2,1H3,(H,23,29)(H,24,25)
InChIKeySMTPIBIEABYNJY-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.27
Rot. Bonds5

About 1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide (PubChem CID 98135028) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide
PubChem CID98135028
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC2CCC(c3[nH]ncc3-c3ccncc3)CC2)ccc1=O
InChIInChI=1S/C21H24N6O2/c1-27-19(28)7-6-18(26-27)21(29)23-12-14-2-4-16(5-3-14)20-17(13-24-25-20)15-8-10-22-11-9-15/h6-11,13-14,16H,2-5,12H2,1H3,(H,23,29)(H,24,25)
InChIKeySMTPIBIEABYNJY-UHFFFAOYSA-N
XLogP2.27
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide (CID 98135028) is 1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide is Cn1nc(C(=O)NCC2CCC(c3[nH]ncc3-c3ccncc3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide?
The InChIKey is SMTPIBIEABYNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-27-19(28)7-6-18(26-27)21(29)23-12-14-2-4-16(5-3-14)20-17(13-24-25-20)15-8-10-22-11-9-15/h6-11,13-14,16H,2-5,12H2,1H3,(H,23,29)(H,24,25).
What are the key properties of 1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)cyclohexyl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 98135028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).