N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide

C14H8ClN3O3 — CID 102989525

IUPACN-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1nccnc1Cl)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C14H8ClN3O3/c15-12-13(17-6-5-16-12)18-14(20)11-7-9(19)8-3-1-2-4-10(8)21-11/h1-7H,(H,17,18,20)
InChIKeyLPIRZOAKLYCLOV-UHFFFAOYSA-N
MW301.69 g/mol
LogP2.49
Rot. Bonds2

About N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide

N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide (PubChem CID 102989525) has the molecular formula C14H8ClN3O3 and a molecular weight of 301.69 g/mol. Its IUPAC name is N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide
PubChem CID102989525
Molecular FormulaC14H8ClN3O3
Molecular Weight301.69 g/mol
Exact Mass301.03
IUPAC NameN-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide
SMILESO=C(Nc1nccnc1Cl)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C14H8ClN3O3/c15-12-13(17-6-5-16-12)18-14(20)11-7-9(19)8-3-1-2-4-10(8)21-11/h1-7H,(H,17,18,20)
InChIKeyLPIRZOAKLYCLOV-UHFFFAOYSA-N
XLogP2.49
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.69
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
N-(6-fluoro-3-pyridinyl)-4-oxochromene-2-carboxamide
CID 103789742
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-benzo[e][1,3]benzothiazol-2-yl-4-oxochromene-2-carboxamide
CID 3638256
N-(4,6-dimethyl-2-pyridinyl)-4-oxochromene-2-carboxamide
CID 22105775
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide
CID 47081673
N-[6-(dimethylamino)-3-pyridinyl]-4-oxochromene-2-carboxamide
CID 17460362
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 17014479
N-[4-(2-amino-2-oxoethyl)phenyl]-4-oxochromene-2-carboxamide
CID 31855114
N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)-4-oxochromene-2-carboxamide
CID 39835229
4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide
CID 122298602
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide (CID 102989525) is N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide is O=C(Nc1nccnc1Cl)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide?
The InChIKey is LPIRZOAKLYCLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClN3O3/c15-12-13(17-6-5-16-12)18-14(20)11-7-9(19)8-3-1-2-4-10(8)21-11/h1-7H,(H,17,18,20).
What are the key properties of N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide?
N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide has a molecular weight of 301.69 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 102989525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).