N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C18H28N4O2 — CID 45251248

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCN(CC3CCCCC3)C2)ccc1=O
InChIInChI=1S/C18H28N4O2/c1-21-17(23)10-9-16(20-21)18(24)19-15-8-5-11-22(13-15)12-14-6-3-2-4-7-14/h9-10,14-15H,2-8,11-13H2,1H3,(H,19,24)
InChIKeyZXTCZKHRQYFNBS-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.55
Rot. Bonds4

About N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 45251248) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID45251248
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCN(CC3CCCCC3)C2)ccc1=O
InChIInChI=1S/C18H28N4O2/c1-21-17(23)10-9-16(20-21)18(24)19-15-8-5-11-22(13-15)12-14-6-3-2-4-7-14/h9-10,14-15H,2-8,11-13H2,1H3,(H,19,24)
InChIKeyZXTCZKHRQYFNBS-UHFFFAOYSA-N
XLogP1.55
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2541694
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CID 132228177
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CID 43046782
CID 43046782
CID 45220484
CID 45220484
CID 49670314
CID 49670314
CID 70779058
CID 70779058
CID 69247837
CID 69247837
CID 69249528
CID 69249528
CID 146193059
CID 146193059
CID 155153035
CID 155153035
CID 941844
CID 941844

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 45251248) is N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2CCCN(CC3CCCCC3)C2)ccc1=O.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ZXTCZKHRQYFNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-21-17(23)10-9-16(20-21)18(24)19-15-8-5-11-22(13-15)12-14-6-3-2-4-7-14/h9-10,14-15H,2-8,11-13H2,1H3,(H,19,24).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 45251248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).