N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C16H19N3O3 — CID 110795908

IUPACN-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCc2ccc3c(c2)CCCO3)=NN1
InChIInChI=1S/C16H19N3O3/c20-15-6-4-13(18-19-15)16(21)17-8-7-11-3-5-14-12(10-11)2-1-9-22-14/h3,5,10H,1-2,4,6-9H2,(H,17,21)(H,19,20)
InChIKeyIPYKLXGGUPAPET-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.94
Rot. Bonds4

About N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 110795908) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID110795908
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCc2ccc3c(c2)CCCO3)=NN1
InChIInChI=1S/C16H19N3O3/c20-15-6-4-13(18-19-15)16(21)17-8-7-11-3-5-14-12(10-11)2-1-9-22-14/h3,5,10H,1-2,4,6-9H2,(H,17,21)(H,19,20)
InChIKeyIPYKLXGGUPAPET-UHFFFAOYSA-N
XLogP0.94
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
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CID 110795817
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-2-phenylacetamide
CID 110790434
6-oxo-N-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
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6-oxo-N-[2-(1H-pyrrol-3-yl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110795677
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]butanamide
CID 110790414
6-oxo-N-[2-(3,4,5-trimethoxyphenyl)ethyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 146025493
6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110746339
methyl 2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]acetate
CID 115233066
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
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2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 110795908) is N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCCc2ccc3c(c2)CCCO3)=NN1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is IPYKLXGGUPAPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15-6-4-13(18-19-15)16(21)17-8-7-11-3-5-14-12(10-11)2-1-9-22-14/h3,5,10H,1-2,4,6-9H2,(H,17,21)(H,19,20).
What are the key properties of N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 110795908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).