N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide

C18H17N3O4 — CID 18081340

IUPACN-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)ccc1=O
InChIInChI=1S/C18H17N3O4/c1-3-8-21-16(22)7-6-14(20-21)18(24)19-12-4-5-13-11(2)9-17(23)25-15(13)10-12/h4-7,9-10H,3,8H2,1-2H3,(H,19,24)
InChIKeyIIDXIJOVFHGRKC-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.32
Rot. Bonds4

About N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 18081340) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID18081340
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)ccc1=O
InChIInChI=1S/C18H17N3O4/c1-3-8-21-16(22)7-6-14(20-21)18(24)19-12-4-5-13-11(2)9-17(23)25-15(13)10-12/h4-7,9-10H,3,8H2,1-2H3,(H,19,24)
InChIKeyIIDXIJOVFHGRKC-UHFFFAOYSA-N
XLogP2.32
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-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-(4-fluoro-3-nitrophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 42162099
N-(4-methyl-2-oxochromen-7-yl)pyridine-4-carboxamide
CID 18170333
N-(3-chloro-4-cyanophenyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 30730757
N-(4-methyl-2-oxochromen-7-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022321
6-oxo-1-propyl-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42162095
[7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl 1-benzyl-6-oxopyridazine-3-carboxylate
CID 2394646
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
N-(6-methoxy-3-pyridinyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 18107814
N-(4-methyl-2-oxochromen-7-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 172659008
4-bromo-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 2675719
N-(3-acetamidophenyl)-1-butyl-6-oxopyridazine-3-carboxamide
CID 18081113
butyl N-(4-methyl-2-oxochromen-7-yl)carbamate
CID 3690863

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 18081340) is N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)ccc1=O.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is IIDXIJOVFHGRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-3-8-21-16(22)7-6-14(20-21)18(24)19-12-4-5-13-11(2)9-17(23)25-15(13)10-12/h4-7,9-10H,3,8H2,1-2H3,(H,19,24).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 18081340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).