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

C14H13N3O3 — CID 30602468

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H13N3O3/c18-13-6-5-11(16-17-13)14(19)15-10-7-8-20-12-4-2-1-3-9(10)12/h1-6,10H,7-8H2,(H,15,19)(H,17,18)/t10-/m0/s1
InChIKeyDCMUVFDGZZFOTN-JTQLQIEISA-N
MW271.28 g/mol
LogP1.02
Rot. Bonds2

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

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 30602468) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID30602468
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H13N3O3/c18-13-6-5-11(16-17-13)14(19)15-10-7-8-20-12-4-2-1-3-9(10)12/h1-6,10H,7-8H2,(H,15,19)(H,17,18)/t10-/m0/s1
InChIKeyDCMUVFDGZZFOTN-JTQLQIEISA-N
XLogP1.02
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole-3-carboxamide
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CID 94526998
N-[6-(3-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 172671769
N-(8-chloro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 75444696
N-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 155945827
N-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-6-oxo-1H-pyridazine-3-carboxamide
CID 110750957
5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide
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CID 18164392
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572299
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572300
N-(3,4-dihydro-2H-chromen-4-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375415
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide (CID 30602468) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is DCMUVFDGZZFOTN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13-6-5-11(16-17-13)14(19)15-10-7-8-20-12-4-2-1-3-9(10)12/h1-6,10H,7-8H2,(H,15,19)(H,17,18)/t10-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 30602468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).