N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide

C16H14N2O3 — CID 50969470

IUPACN-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide
SMILESCc1cc2oc(=O)cc(C)c2cc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C16H14N2O3/c1-9-7-15(19)21-14-6-10(2)13(8-11(9)14)18-16(20)12-4-3-5-17-12/h3-8,17H,1-2H3,(H,18,20)
InChIKeyCAFMPGRDVGAOOL-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.99
Rot. Bonds2

About N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide

N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide (PubChem CID 50969470) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide
PubChem CID50969470
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC NameN-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide
SMILESCc1cc2oc(=O)cc(C)c2cc1NC(=O)c1ccc[nH]1
InChIInChI=1S/C16H14N2O3/c1-9-7-15(19)21-14-6-10(2)13(8-11(9)14)18-16(20)12-4-3-5-17-12/h3-8,17H,1-2H3,(H,18,20)
InChIKeyCAFMPGRDVGAOOL-UHFFFAOYSA-N
XLogP2.99
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-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

3-bromo-N-(4,7-dimethyl-2-oxochromen-6-yl)benzamide
CID 1234118
N-(4,7-dimethyl-2-oxochromen-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 50951029
N-(4,7-dimethyl-2-oxochromen-6-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 50965624
N-(2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 47009571
2-[(4,6-dimethyl-2-oxochromen-7-yl)amino]-2-oxoacetic acid
CID 12906975
2-(2-aminoethoxy)-N-(4,7-dimethyl-2-oxochromen-6-yl)-5-methylbenzamide;hydrochloride
CID 172897097
N-(4,7-dimethyl-2-oxochromen-6-yl)oxolane-3-carboxamide
CID 50966473
2-[3-(2-aminoethoxy)phenyl]-N-(4,7-dimethyl-2-oxochromen-6-yl)acetamide
CID 172661854
N-(4-methyl-2-oxochromen-7-yl)-1H-indole-2-carboxamide
CID 134153428
N-(2-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210810
N-naphthalen-1-yl-1H-pyrrole-2-carboxamide
CID 110461074
N-(2,5-dimethylpyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 110470794

Frequently Asked Questions

What is the IUPAC name of N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide (CID 50969470) is N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide is Cc1cc2oc(=O)cc(C)c2cc1NC(=O)c1ccc[nH]1.
What is the InChIKey of N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is CAFMPGRDVGAOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-9-7-15(19)21-14-6-10(2)13(8-11(9)14)18-16(20)12-4-3-5-17-12/h3-8,17H,1-2H3,(H,18,20).
What are the key properties of N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide?
N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,7-dimethyl-2-oxochromen-6-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 50969470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).