N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide

C22H15IN2O3 — CID 17117022

IUPACN-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide
SMILESCc1nc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)ccc1I
InChIInChI=1S/C22H15IN2O3/c1-13-18(23)9-10-20(24-13)25-21(26)16-7-4-6-14(11-16)17-12-15-5-2-3-8-19(15)28-22(17)27/h2-12H,1H3,(H,24,25,26)
InChIKeyNQGSBZVVXOKJEL-UHFFFAOYSA-N
MW482.28 g/mol
LogP5.02
Rot. Bonds3

About N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide

N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide (PubChem CID 17117022) has the molecular formula C22H15IN2O3 and a molecular weight of 482.28 g/mol. Its IUPAC name is N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide
PubChem CID17117022
Molecular FormulaC22H15IN2O3
Molecular Weight482.28 g/mol
Exact Mass482.01
IUPAC NameN-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide
SMILESCc1nc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)ccc1I
InChIInChI=1S/C22H15IN2O3/c1-13-18(23)9-10-20(24-13)25-21(26)16-7-4-6-14(11-16)17-12-15-5-2-3-8-19(15)28-22(17)27/h2-12H,1H3,(H,24,25,26)
InChIKeyNQGSBZVVXOKJEL-UHFFFAOYSA-N
XLogP5.02
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.28
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 4237295
N-(5-bromo-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide
CID 2044442
N-(2-fluoro-4-iodophenyl)-3-(2-oxochromen-3-yl)benzamide
CID 3617526
N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 5114053
4-[[3-(2-oxochromen-3-yl)benzoyl]amino]benzoic acid
CID 28675540
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3659488
3-(2-oxochromen-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 3790128
3-(2-oxochromen-3-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 4519459
N-[2-methyl-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3367913
(2S)-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]propanoic acid
CID 7095122
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-oxochromen-3-yl)benzamide
CID 5124453
3-methyl-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]butanoic acid
CID 4839243

Frequently Asked Questions

What is the IUPAC name of N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide?
The IUPAC name of N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide (CID 17117022) is N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide is Cc1nc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)ccc1I.
What is the InChIKey of N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide?
The InChIKey is NQGSBZVVXOKJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15IN2O3/c1-13-18(23)9-10-20(24-13)25-21(26)16-7-4-6-14(11-16)17-12-15-5-2-3-8-19(15)28-22(17)27/h2-12H,1H3,(H,24,25,26).
What are the key properties of N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide?
N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide has a molecular weight of 482.28 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-iodo-6-methyl-2-pyridinyl)-3-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 17117022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).