N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C19H22N4O3 — CID 41102946

IUPACN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCN(C)[C@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccco1
InChIInChI=1S/C19H22N4O3/c1-22(2)16(17-9-6-12-26-17)13-20-19(25)15-10-11-18(24)23(21-15)14-7-4-3-5-8-14/h3-9,12,16H,10-11,13H2,1-2H3,(H,20,25)/t16-/m1/s1
InChIKeyVANSIKQTHCSWKV-MRXNPFEDSA-N
MW354.41 g/mol
LogP2.18
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 41102946) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID41102946
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESCN(C)[C@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccco1
InChIInChI=1S/C19H22N4O3/c1-22(2)16(17-9-6-12-26-17)13-20-19(25)15-10-11-18(24)23(21-15)14-7-4-3-5-8-14/h3-9,12,16H,10-11,13H2,1-2H3,(H,20,25)/t16-/m1/s1
InChIKeyVANSIKQTHCSWKV-MRXNPFEDSA-N
XLogP2.18
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide with MolForge

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Related Compounds

N-[furan-2-yl(phenyl)methyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 134029367
N-(2-morpholin-4-ylpropyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 51078106
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-benzyl-N-[2-(furan-2-yl)-2-hydroxyethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 146129495
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51251063
6-oxo-N-pentan-2-yl-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 18077182
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 18588934
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 122566101
6-oxo-N-(oxolan-2-ylmethyl)-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 23474466
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 166208789

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 41102946) is N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is CN(C)[C@H](CNC(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccco1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is VANSIKQTHCSWKV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-22(2)16(17-9-6-12-26-17)13-20-19(25)15-10-11-18(24)23(21-15)14-7-4-3-5-8-14/h3-9,12,16H,10-11,13H2,1-2H3,(H,20,25)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 41102946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).