N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide

C16H20N4O3 — CID 34859739

IUPACN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H20N4O3/c21-15-7-6-12(18-19-15)16(22)17-11-13(14-5-4-10-23-14)20-8-2-1-3-9-20/h4-7,10,13H,1-3,8-9,11H2,(H,17,22)(H,19,21)/t13-/m1/s1
InChIKeyOVDAHIWBCPHVCI-CYBMUJFWSA-N
MW316.36 g/mol
LogP1.32
Rot. Bonds5

About N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 34859739) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID34859739
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(=O)[nH]n1
InChIInChI=1S/C16H20N4O3/c21-15-7-6-12(18-19-15)16(22)17-11-13(14-5-4-10-23-14)20-8-2-1-3-9-20/h4-7,10,13H,1-3,8-9,11H2,(H,17,22)(H,19,21)/t13-/m1/s1
InChIKeyOVDAHIWBCPHVCI-CYBMUJFWSA-N
XLogP1.32
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51162639
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 43005804
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 4869738
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]-1,3-thiazole-4-carboxamide
CID 63049608
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 41037776
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]quinoxaline-2-carboxamide
CID 18152829
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542030
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide;hydrochloride
CID 52985069
5-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130287
5-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130289

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 34859739) is N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is OVDAHIWBCPHVCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-15-7-6-12(18-19-15)16(22)17-11-13(14-5-4-10-23-14)20-8-2-1-3-9-20/h4-7,10,13H,1-3,8-9,11H2,(H,17,22)(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 34859739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).