2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide

C19H18N2O4 — CID 171388806

IUPAC2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
SMILESCC(C)Oc1ccc2cc(C(=O)NCc3cccnc3)c(=O)oc2c1
InChIInChI=1S/C19H18N2O4/c1-12(2)24-15-6-5-14-8-16(19(23)25-17(14)9-15)18(22)21-11-13-4-3-7-20-10-13/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyMNRUCGNYZCAAMT-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.91
Rot. Bonds5

About 2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide

2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide (PubChem CID 171388806) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
PubChem CID171388806
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide
SMILESCC(C)Oc1ccc2cc(C(=O)NCc3cccnc3)c(=O)oc2c1
InChIInChI=1S/C19H18N2O4/c1-12(2)24-15-6-5-14-8-16(19(23)25-17(14)9-15)18(22)21-11-13-4-3-7-20-10-13/h3-10,12H,11H2,1-2H3,(H,21,22)
InChIKeyMNRUCGNYZCAAMT-UHFFFAOYSA-N
XLogP2.91
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-7-propan-2-yloxy-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]chromene-3-carboxamide
CID 171911394
3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
7-methoxy-N-[(4-methoxyphenyl)methyl]-2-oxochromene-3-carboxamide
CID 5262259
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171914487
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 3-methoxybenzoate
CID 19185467
[3-(2-methylpropylcarbamoyl)-2-oxochromen-7-yl] 2-methylpropanoate
CID 19185670
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 19185475
2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide
CID 171388211
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] (E)-3-phenylprop-2-enoate
CID 19185477
[3-(benzylcarbamoyl)-2-oxochromen-7-yl] 2-(4-ethoxyphenoxy)acetate
CID 19185577
N-[1-(hydroxymethyl)cyclopent-3-en-1-yl]-2-oxo-7-propan-2-yloxychromene-3-carboxamide
CID 171907057
4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213043

Frequently Asked Questions

What is the IUPAC name of 2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide (CID 171388806) is 2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide is CC(C)Oc1ccc2cc(C(=O)NCc3cccnc3)c(=O)oc2c1.
What is the InChIKey of 2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide?
The InChIKey is MNRUCGNYZCAAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(2)24-15-6-5-14-8-16(19(23)25-17(14)9-15)18(22)21-11-13-4-3-7-20-10-13/h3-10,12H,11H2,1-2H3,(H,21,22).
What are the key properties of 2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide?
2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-7-propan-2-yloxy-N-(pyridin-3-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 171388806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).