N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide

C17H22N4O3 — CID 51162639

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(c2ccco2)N2CCCCC2)ccc1=O
InChIInChI=1S/C17H22N4O3/c1-20-16(22)8-7-13(19-20)17(23)18-12-14(15-6-5-11-24-15)21-9-3-2-4-10-21/h5-8,11,14H,2-4,9-10,12H2,1H3,(H,18,23)
InChIKeyKYXJHHPEYPRIMH-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.33
Rot. Bonds5

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 51162639) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID51162639
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(c2ccco2)N2CCCCC2)ccc1=O
InChIInChI=1S/C17H22N4O3/c1-20-16(22)8-7-13(19-20)17(23)18-12-14(15-6-5-11-24-15)21-9-3-2-4-10-21/h5-8,11,14H,2-4,9-10,12H2,1H3,(H,18,23)
InChIKeyKYXJHHPEYPRIMH-UHFFFAOYSA-N
XLogP1.33
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 34859739
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35691476
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 30520689
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 26833968
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-thiazole-4-carboxamide
CID 63049608
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]quinoxaline-2-carboxamide
CID 18152829
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
CID 4883742
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892299
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-2-phenyltriazole-4-carboxamide
CID 26892301
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 51162639) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NCC(c2ccco2)N2CCCCC2)ccc1=O.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is KYXJHHPEYPRIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20-16(22)8-7-13(19-20)17(23)18-12-14(15-6-5-11-24-15)21-9-3-2-4-10-21/h5-8,11,14H,2-4,9-10,12H2,1H3,(H,18,23).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51162639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).