N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide

C16H24N4O2 — CID 164630971

IUPACN-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
SMILESCn1nc(N2CC[C@H](NC(=O)C3CCCCC3)C2)ccc1=O
InChIInChI=1S/C16H24N4O2/c1-19-15(21)8-7-14(18-19)20-10-9-13(11-20)17-16(22)12-5-3-2-4-6-12/h7-8,12-13H,2-6,9-11H2,1H3,(H,17,22)/t13-/m0/s1
InChIKeyOPJMVLGQCUHVHU-ZDUSSCGKSA-N
MW304.39 g/mol
LogP1.06
Rot. Bonds3

About N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide

N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide (PubChem CID 164630971) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
PubChem CID164630971
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide
SMILESCn1nc(N2CC[C@H](NC(=O)C3CCCCC3)C2)ccc1=O
InChIInChI=1S/C16H24N4O2/c1-19-15(21)8-7-14(18-19)20-10-9-13(11-20)17-16(22)12-5-3-2-4-6-12/h7-8,12-13H,2-6,9-11H2,1H3,(H,17,22)/t13-/m0/s1
InChIKeyOPJMVLGQCUHVHU-ZDUSSCGKSA-N
XLogP1.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide (CID 164630971) is N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide is Cn1nc(N2CC[C@H](NC(=O)C3CCCCC3)C2)ccc1=O.
What is the InChIKey of N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?
The InChIKey is OPJMVLGQCUHVHU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19-15(21)8-7-14(18-19)20-10-9-13(11-20)17-16(22)12-5-3-2-4-6-12/h7-8,12-13H,2-6,9-11H2,1H3,(H,17,22)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide?
N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-3-yl]cyclohexanecarboxamide is sourced from PubChem (CID 164630971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).