N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide

C20H21N3O4 — CID 171386220

IUPACN-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)N(C)C(C)c3ccncn3)c(=O)oc2c1
InChIInChI=1S/C20H21N3O4/c1-4-9-26-15-6-5-14-10-16(20(25)27-18(14)11-15)19(24)23(3)13(2)17-7-8-21-12-22-17/h5-8,10-13H,4,9H2,1-3H3
InChIKeyXEJJSEUHFOLWGB-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.20
Rot. Bonds6

About N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide

N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide (PubChem CID 171386220) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide
PubChem CID171386220
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide
SMILESCCCOc1ccc2cc(C(=O)N(C)C(C)c3ccncn3)c(=O)oc2c1
InChIInChI=1S/C20H21N3O4/c1-4-9-26-15-6-5-14-10-16(20(25)27-18(14)11-15)19(24)23(3)13(2)17-7-8-21-12-22-17/h5-8,10-13H,4,9H2,1-3H3
InChIKeyXEJJSEUHFOLWGB-UHFFFAOYSA-N
XLogP3.20
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-oxo-7-propoxychromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263838
3-acetyl-7-butoxychromen-2-one
CID 166072598
N-tert-butyl-2-oxo-7-propoxychromene-3-carboxamide
CID 5263306
7-octoxy-2-oxochromene-3-carboxylic acid
CID 21182395
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
N-(furan-2-ylmethyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263602
N-(2,4-dimethoxyphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263537
N,2,6-trimethyl-N-(1-pyrimidin-4-ylethyl)quinoline-3-carboxamide
CID 46992793
N-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263934
N'-(7-ethoxy-2-oxochromene-3-carbonyl)pyridine-4-carbohydrazide
CID 5263160
N-(2,4-dimethylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263540
N-(2-methoxy-5-methylphenyl)-2-oxo-7-propoxychromene-3-carboxamide
CID 5263313

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide (CID 171386220) is N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide is CCCOc1ccc2cc(C(=O)N(C)C(C)c3ccncn3)c(=O)oc2c1.
What is the InChIKey of N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide?
The InChIKey is XEJJSEUHFOLWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-4-9-26-15-6-5-14-10-16(20(25)27-18(14)11-15)19(24)23(3)13(2)17-7-8-21-12-22-17/h5-8,10-13H,4,9H2,1-3H3.
What are the key properties of N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide?
N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-7-propoxy-N-(1-pyrimidin-4-ylethyl)chromene-3-carboxamide is sourced from PubChem (CID 171386220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).