N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide

C19H14N4O5 — CID 16841429

IUPACN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide
SMILESCn1c(=O)c2c(NC(=O)c3cc4ccccc4oc3=O)ccnc2n(C)c1=O
InChIInChI=1S/C19H14N4O5/c1-22-15-14(17(25)23(2)19(22)27)12(7-8-20-15)21-16(24)11-9-10-5-3-4-6-13(10)28-18(11)26/h3-9H,1-2H3,(H,20,21,24)
InChIKeyCCPXQVHNTZDBHE-UHFFFAOYSA-N
MW378.34 g/mol
LogP0.99
Rot. Bonds2

About N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide

N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide (PubChem CID 16841429) has the molecular formula C19H14N4O5 and a molecular weight of 378.34 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide
PubChem CID16841429
Molecular FormulaC19H14N4O5
Molecular Weight378.34 g/mol
Exact Mass378.10
IUPAC NameN-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide
SMILESCn1c(=O)c2c(NC(=O)c3cc4ccccc4oc3=O)ccnc2n(C)c1=O
InChIInChI=1S/C19H14N4O5/c1-22-15-14(17(25)23(2)19(22)27)12(7-8-20-15)21-16(24)11-9-10-5-3-4-6-13(10)28-18(11)26/h3-9H,1-2H3,(H,20,21,24)
InChIKeyCCPXQVHNTZDBHE-UHFFFAOYSA-N
XLogP0.99
TPSA116.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methyl-4-pyridinyl)-2-oxochromene-3-carboxamide
CID 110757271
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-methyl-3-nitrobenzamide
CID 16841353
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-5-nitrofuran-2-carboxamide
CID 16841424
2-chloro-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-6-fluorobenzamide
CID 16841348
1,3-dimethyl-5-(naphthalen-1-ylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 16845519
N-[3-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-2-oxochromene-3-carboxamide
CID 91948144
2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide
CID 30183382
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
N-[4-[(2-oxochromene-3-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 1442136
N-[2-(diethylcarbamoyl)phenyl]-2-oxochromene-3-carboxamide
CID 86835457
N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-oxochromene-3-carbohydrazide
CID 2145339
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide (CID 16841429) is N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide is Cn1c(=O)c2c(NC(=O)c3cc4ccccc4oc3=O)ccnc2n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide?
The InChIKey is CCPXQVHNTZDBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O5/c1-22-15-14(17(25)23(2)19(22)27)12(7-8-20-15)21-16(24)11-9-10-5-3-4-6-13(10)28-18(11)26/h3-9H,1-2H3,(H,20,21,24).
What are the key properties of N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide?
N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide has a molecular weight of 378.34 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16841429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).