N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide

C15H20N4O3 — CID 166372648

IUPACN-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccn[nH]c1=O)Cc1ccco1
InChIInChI=1S/C15H20N4O3/c1-11(2)19(10-12-4-3-9-22-12)8-7-16-14(20)13-5-6-17-18-15(13)21/h3-6,9,11H,7-8,10H2,1-2H3,(H,16,20)(H,18,21)
InChIKeyXJFTVHOHGWMEKN-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.00
Rot. Bonds7

About N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide

N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 166372648) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID166372648
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC NameN-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide
SMILESCC(C)N(CCNC(=O)c1ccn[nH]c1=O)Cc1ccco1
InChIInChI=1S/C15H20N4O3/c1-11(2)19(10-12-4-3-9-22-12)8-7-16-14(20)13-5-6-17-18-15(13)21/h3-6,9,11H,7-8,10H2,1-2H3,(H,16,20)(H,18,21)
InChIKeyXJFTVHOHGWMEKN-UHFFFAOYSA-N
XLogP1.00
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]acetamide
CID 98476606
2-ethyl-N-[2-[furan-2-ylmethyl(methylsulfonyl)amino]ethyl]butanamide
CID 113066453
N-[2-[[(2R)-butan-2-yl]-(furan-2-ylmethyl)amino]ethyl]-8-methyl-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 92686795
6-N-benzyl-2-N-(furan-2-ylmethyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109097118
N-[2-[di(propan-2-yl)amino]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 34818779
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 78883602
N-[2-[butan-2-yl(furan-2-ylmethyl)amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 20949240
3-[4-[(4-fluorophenyl)methyl]-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl]-N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]propanamide
CID 20880960
N-[2-(furan-2-yl)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105069134
2-(ethylamino)-3-fluoro-N-[2-(furan-2-yl)ethyl]pyridine-4-carboxamide
CID 105385395
5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 42750797
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide (CID 166372648) is N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide is CC(C)N(CCNC(=O)c1ccn[nH]c1=O)Cc1ccco1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is XJFTVHOHGWMEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-11(2)19(10-12-4-3-9-22-12)8-7-16-14(20)13-5-6-17-18-15(13)21/h3-6,9,11H,7-8,10H2,1-2H3,(H,16,20)(H,18,21).
What are the key properties of N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide?
N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(propan-2-yl)amino]ethyl]-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 166372648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).