N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

C21H15N3O5 — CID 108790358

IUPACN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4c[nH]c(=O)[nH]c4=O)cc3)cc(=O)c2c1
InChIInChI=1S/C21H15N3O5/c1-11-2-7-17-14(8-11)16(25)9-18(29-17)12-3-5-13(6-4-12)19(26)23-15-10-22-21(28)24-20(15)27/h2-10H,1H3,(H,23,26)(H2,22,24,27,28)
InChIKeyOODWGHSCUXNTHJ-UHFFFAOYSA-N
MW389.37 g/mol
LogP2.40
Rot. Bonds3

About N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide

N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (PubChem CID 108790358) has the molecular formula C21H15N3O5 and a molecular weight of 389.37 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
PubChem CID108790358
Molecular FormulaC21H15N3O5
Molecular Weight389.37 g/mol
Exact Mass389.10
IUPAC NameN-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
SMILESCc1ccc2oc(-c3ccc(C(=O)Nc4c[nH]c(=O)[nH]c4=O)cc3)cc(=O)c2c1
InChIInChI=1S/C21H15N3O5/c1-11-2-7-17-14(8-11)16(25)9-18(29-17)12-3-5-13(6-4-12)19(26)23-15-10-22-21(28)24-20(15)27/h2-10H,1H3,(H,23,26)(H2,22,24,27,28)
InChIKeyOODWGHSCUXNTHJ-UHFFFAOYSA-N
XLogP2.40
TPSA125.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.37
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methyl-4-oxochromen-2-yl)-N-(4-methylphenyl)benzamide
CID 108790164
N-(2-bromo-4-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803001
N-[2-(4-methylanilino)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803154
N-(2,6-dimethylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790363
4-(6-methyl-4-oxochromen-2-yl)-N-(2,3,4-trifluorophenyl)benzamide
CID 108803013
N-(4-hydroxyphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790183
N-(3-chloro-2-methylphenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790173
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108803042
4-(6-methyl-4-oxochromen-2-yl)-N-(5-methyl-2-pyridinyl)benzamide
CID 108803125
N-(4-anilinophenyl)-4-(6-methyl-4-oxochromen-2-yl)benzamide
CID 108790282
4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide
CID 108790350
4-(6-methyl-4-oxochromen-2-yl)-N-[3-(6-oxo-1H-pyridazin-3-yl)phenyl]benzamide
CID 108811382

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The IUPAC name of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide (CID 108790358) is N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide.
What is the SMILES notation for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The canonical SMILES for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is Cc1ccc2oc(-c3ccc(C(=O)Nc4c[nH]c(=O)[nH]c4=O)cc3)cc(=O)c2c1.
What is the InChIKey of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
The InChIKey is OODWGHSCUXNTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O5/c1-11-2-7-17-14(8-11)16(25)9-18(29-17)12-3-5-13(6-4-12)19(26)23-15-10-22-21(28)24-20(15)27/h2-10H,1H3,(H,23,26)(H2,22,24,27,28).
What are the key properties of N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide?
N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide has a molecular weight of 389.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-pyrimidin-5-yl)-4-(6-methyl-4-oxochromen-2-yl)benzamide is sourced from PubChem (CID 108790358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).