N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

C19H16ClFN2O4 — CID 52931728

IUPACN-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
SMILESCCCc1c(OC)ccc2cc(C(=O)Nc3cc(F)cnc3Cl)c(=O)oc12
InChIInChI=1S/C19H16ClFN2O4/c1-3-4-12-15(26-2)6-5-10-7-13(19(25)27-16(10)12)18(24)23-14-8-11(21)9-22-17(14)20/h5-9H,3-4H2,1-2H3,(H,23,24)
InChIKeyVGESBQGDASZCTF-UHFFFAOYSA-N
MW390.80 g/mol
LogP4.19
Rot. Bonds5

About N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide

N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide (PubChem CID 52931728) has the molecular formula C19H16ClFN2O4 and a molecular weight of 390.80 g/mol. Its IUPAC name is N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
PubChem CID52931728
Molecular FormulaC19H16ClFN2O4
Molecular Weight390.80 g/mol
Exact Mass390.08
IUPAC NameN-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
SMILESCCCc1c(OC)ccc2cc(C(=O)Nc3cc(F)cnc3Cl)c(=O)oc12
InChIInChI=1S/C19H16ClFN2O4/c1-3-4-12-15(26-2)6-5-10-7-13(19(25)27-16(10)12)18(24)23-14-8-11(21)9-22-17(14)20/h5-9H,3-4H2,1-2H3,(H,23,24)
InChIKeyVGESBQGDASZCTF-UHFFFAOYSA-N
XLogP4.19
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932448
N-[4-(hydroxymethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932181
N-[4-(2-amino-1-hydroxyethyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87590541
N-[4-(methanesulfonamido)-2-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 52932243
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 173114860
N-[4-[1-(aminomethyl)cyclopropyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87589261
N-[4-(aminomethyl)-3-methylphenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 24763189
7-methoxy-N-[4-(1-nitrosoethyl)phenyl]-2-oxo-8-propylchromene-3-carboxamide
CID 90787276
N-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]-7-methoxy-2-oxo-8-propylchromene-3-carboxamide
CID 87684672
N-[4-[[ethyl(methyl)amino]methyl]phenyl]-7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxamide
CID 87590649
7-(2-fluoroethoxy)-2-oxo-8-propylchromene-3-carboxylic acid
CID 86637436
8-ethyl-7-methoxy-2-oxochromene-3-carboxylic acid
CID 87272074

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The IUPAC name of N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide (CID 52931728) is N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide.
What is the SMILES notation for N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The canonical SMILES for N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide is CCCc1c(OC)ccc2cc(C(=O)Nc3cc(F)cnc3Cl)c(=O)oc12.
What is the InChIKey of N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
The InChIKey is VGESBQGDASZCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O4/c1-3-4-12-15(26-2)6-5-10-7-13(19(25)27-16(10)12)18(24)23-14-8-11(21)9-22-17(14)20/h5-9H,3-4H2,1-2H3,(H,23,24).
What are the key properties of N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide?
N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide has a molecular weight of 390.80 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluoro-3-pyridinyl)-7-methoxy-2-oxo-8-propylchromene-3-carboxamide is sourced from PubChem (CID 52931728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).