N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C17H24N4O3 — CID 30520689

IUPACN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CCC1=O
InChIInChI=1S/C17H24N4O3/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/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyQLHATEMHUCCPAD-AWEZNQCLSA-N
MW332.40 g/mol
LogP1.53
Rot. Bonds5

About N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 30520689) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID30520689
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CCC1=O
InChIInChI=1S/C17H24N4O3/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/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,18,23)/t14-/m0/s1
InChIKeyQLHATEMHUCCPAD-AWEZNQCLSA-N
XLogP1.53
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
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N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35691476
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylbenzamide
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N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methylpyrazine-2-carboxamide
CID 2453107
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
(3S)-3-acetyl-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 52522144
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 34859739
(3S)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 94021840

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 30520689) is N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CCC1=O.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is QLHATEMHUCCPAD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N4O3/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/h5-6,11,14H,2-4,7-10,12H2,1H3,(H,18,23)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 30520689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).