N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

C16H13ClN4O2 — CID 7711410

IUPACN-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C16H13ClN4O2/c17-11-6-8-14(18-10-11)19-16(23)13-7-9-15(22)21(20-13)12-4-2-1-3-5-12/h1-6,8,10H,7,9H2,(H,18,19,23)
InChIKeyHEXYHTCBBMWSKH-UHFFFAOYSA-N
MW328.76 g/mol
LogP2.86
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide

N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (PubChem CID 7711410) has the molecular formula C16H13ClN4O2 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
PubChem CID7711410
Molecular FormulaC16H13ClN4O2
Molecular Weight328.76 g/mol
Exact Mass328.07
IUPAC NameN-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1=NN(c2ccccc2)C(=O)CC1
InChIInChI=1S/C16H13ClN4O2/c17-11-6-8-14(18-10-11)19-16(23)13-7-9-15(22)21(20-13)12-4-2-1-3-5-12/h1-6,8,10H,7,9H2,(H,18,19,23)
InChIKeyHEXYHTCBBMWSKH-UHFFFAOYSA-N
XLogP2.86
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide (CID 7711410) is N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is O=C(Nc1ccc(Cl)cn1)C1=NN(c2ccccc2)C(=O)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is HEXYHTCBBMWSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2/c17-11-6-8-14(18-10-11)19-16(23)13-7-9-15(22)21(20-13)12-4-2-1-3-5-12/h1-6,8,10H,7,9H2,(H,18,19,23).
What are the key properties of N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide?
N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 7711410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).