N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide

C21H15FN2O3 — CID 3807670

IUPACN-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
SMILESCc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H15FN2O3/c1-12-15(20(26)23-11-13-5-3-2-4-6-13)10-17-19(25)16-9-14(22)7-8-18(16)27-21(17)24-12/h2-10H,11H2,1H3,(H,23,26)
InChIKeyQRFSMVOFLDPNNJ-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.72
Rot. Bonds3

About N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide

N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide (PubChem CID 3807670) has the molecular formula C21H15FN2O3 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
PubChem CID3807670
Molecular FormulaC21H15FN2O3
Molecular Weight362.36 g/mol
Exact Mass362.11
IUPAC NameN-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
SMILESCc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H15FN2O3/c1-12-15(20(26)23-11-13-5-3-2-4-6-13)10-17-19(25)16-9-14(22)7-8-18(16)27-21(17)24-12/h2-10H,11H2,1H3,(H,23,26)
InChIKeyQRFSMVOFLDPNNJ-UHFFFAOYSA-N
XLogP3.72
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

Orelabrutinib
CID 91667513
3-Acetyl-2-methyl-5H-[1]benzopyrano[2,3-b]pyridin-5-one
CID 617281
5H-(1)Benzopyrano(2,3-b)pyridin-5-one, 3-acetyl-2,7-dimethyl-
CID 659276
methyl 2-ethyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 1475273
methyl 2-methyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 1475275
ethyl 2-[2-(dimethylamino)vinyl]-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 5807440
ethyl 2-methyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate
CID 3703706
N-(2,6-dimethylphenyl)-5-oxo-2-(trifluoromethyl)-5H-chromeno[2,3-b]pyridine-3-carboxamide
CID 2764671
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
4-(3-methoxyanilino)-2-(2-methoxyphenyl)-7,8-dihydro-6H-1,6-naphthyridin-5-one
CID 53494123
2-((3-fluorobenzyl)oxy)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 57405264
2-[4-(4-fluorophenoxy)phenyl]-6-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]pyridine-4-carboxamide
CID 71566103

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide (CID 3807670) is N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide is Cc1nc2oc3ccc(F)cc3c(=O)c2cc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
The InChIKey is QRFSMVOFLDPNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3/c1-12-15(20(26)23-11-13-5-3-2-4-6-13)10-17-19(25)16-9-14(22)7-8-18(16)27-21(17)24-12/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide?
N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide has a molecular weight of 362.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-fluoro-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 3807670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).