N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide

C19H14ClN5O2 — CID 121100932

IUPACN-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1C#N)n1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C19H14ClN5O2/c1-12(19(27)23-17-9-15(20)5-4-13(17)10-21)25-18(26)7-6-16(24-25)14-3-2-8-22-11-14/h2-9,11-12H,1H3,(H,23,27)
InChIKeyMKHVOIVWTFWFEZ-UHFFFAOYSA-N
MW379.81 g/mol
LogP3.03
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide

N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide (PubChem CID 121100932) has the molecular formula C19H14ClN5O2 and a molecular weight of 379.81 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
PubChem CID121100932
Molecular FormulaC19H14ClN5O2
Molecular Weight379.81 g/mol
Exact Mass379.08
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
SMILESCC(C(=O)Nc1cc(Cl)ccc1C#N)n1nc(-c2cccnc2)ccc1=O
InChIInChI=1S/C19H14ClN5O2/c1-12(19(27)23-17-9-15(20)5-4-13(17)10-21)25-18(26)7-6-16(24-25)14-3-2-8-22-11-14/h2-9,11-12H,1H3,(H,23,27)
InChIKeyMKHVOIVWTFWFEZ-UHFFFAOYSA-N
XLogP3.03
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide (CID 121100932) is N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide is CC(C(=O)Nc1cc(Cl)ccc1C#N)n1nc(-c2cccnc2)ccc1=O.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?
The InChIKey is MKHVOIVWTFWFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O2/c1-12(19(27)23-17-9-15(20)5-4-13(17)10-21)25-18(26)7-6-16(24-25)14-3-2-8-22-11-14/h2-9,11-12H,1H3,(H,23,27).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide?
N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide has a molecular weight of 379.81 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide is sourced from PubChem (CID 121100932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).