N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide

C18H16N2O3 — CID 110440706

IUPACN-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H16N2O3/c1-20(11-8-13-6-9-19-10-7-13)17(21)15-12-14-4-2-3-5-16(14)23-18(15)22/h2-7,9-10,12H,8,11H2,1H3
InChIKeyFVRDMWLQEWNNFC-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.50
Rot. Bonds4

About N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide

N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide (PubChem CID 110440706) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
PubChem CID110440706
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C18H16N2O3/c1-20(11-8-13-6-9-19-10-7-13)17(21)15-12-14-4-2-3-5-16(14)23-18(15)22/h2-7,9-10,12H,8,11H2,1H3
InChIKeyFVRDMWLQEWNNFC-UHFFFAOYSA-N
XLogP2.50
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
N-methyl-N-(naphthalen-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 18115026
N-benzyl-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1432995
6-chloro-N-methyl-2-oxo-N-(pyridin-4-ylmethyl)chromene-3-carboxamide
CID 171908393
N-[(3-chlorophenyl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 18112537
N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 109388309
N-methyl-N-(2-pyridin-4-ylethyl)cinnoline-3-carboxamide
CID 110705070
N-[(4-fluorophenyl)methyl]-2-oxo-N-(2-phenylethyl)chromene-3-carboxamide
CID 1433068
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-oxochromene-3-carboxamide
CID 9482674
N-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide
CID 106607568
5-amino-2-fluoro-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 60913362
2-oxo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]chromene-3-carboxamide
CID 121165322

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide?
The IUPAC name of N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide (CID 110440706) is N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide.
What is the SMILES notation for N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide?
The canonical SMILES for N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide is CN(CCc1ccncc1)C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide?
The InChIKey is FVRDMWLQEWNNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-20(11-8-13-6-9-19-10-7-13)17(21)15-12-14-4-2-3-5-16(14)23-18(15)22/h2-7,9-10,12H,8,11H2,1H3.
What are the key properties of N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide?
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)chromene-3-carboxamide is sourced from PubChem (CID 110440706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).