N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide

C22H15ClN2O3 — CID 154700861

IUPACN-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCc1cc(=O)oc2cc(-c3ccc(C(=O)Nc4ccc(Cl)cn4)cc3)ccc12
InChIInChI=1S/C22H15ClN2O3/c1-13-10-21(26)28-19-11-16(6-8-18(13)19)14-2-4-15(5-3-14)22(27)25-20-9-7-17(23)12-24-20/h2-12H,1H3,(H,24,25,27)
InChIKeyMPDVUSAEAFKPBH-UHFFFAOYSA-N
MW390.83 g/mol
LogP5.07
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide

N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide (PubChem CID 154700861) has the molecular formula C22H15ClN2O3 and a molecular weight of 390.83 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
PubChem CID154700861
Molecular FormulaC22H15ClN2O3
Molecular Weight390.83 g/mol
Exact Mass390.08
IUPAC NameN-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
SMILESCc1cc(=O)oc2cc(-c3ccc(C(=O)Nc4ccc(Cl)cn4)cc3)ccc12
InChIInChI=1S/C22H15ClN2O3/c1-13-10-21(26)28-19-11-16(6-8-18(13)19)14-2-4-15(5-3-14)22(27)25-20-9-7-17(23)12-24-20/h2-12H,1H3,(H,24,25,27)
InChIKeyMPDVUSAEAFKPBH-UHFFFAOYSA-N
XLogP5.07
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.83
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
CID 154700876
6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
CID 122197325
N-(5-chloro-2-pyridinyl)-4-methyl-3-(4-phenylphenyl)benzamide
CID 90885243
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719
4-[(4-methyl-2-oxochromen-7-yl)carbamoyl]benzoic acid
CID 134155841
N-(5-chloro-2-pyridinyl)-4-hydroxy-5-methyl-2-[[4-(methylamino)benzoyl]amino]benzamide
CID 153409491
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N-(5-chloro-2-pyridinyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17022037
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 9412162
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,4-dimethyl-6-oxopyran-3-carboxylate
CID 27057001

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide (CID 154700861) is N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide is Cc1cc(=O)oc2cc(-c3ccc(C(=O)Nc4ccc(Cl)cn4)cc3)ccc12.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide?
The InChIKey is MPDVUSAEAFKPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O3/c1-13-10-21(26)28-19-11-16(6-8-18(13)19)14-2-4-15(5-3-14)22(27)25-20-9-7-17(23)12-24-20/h2-12H,1H3,(H,24,25,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide?
N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide has a molecular weight of 390.83 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide is sourced from PubChem (CID 154700861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).