N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide

C19H18N2O3 — CID 56754468

IUPACN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(=O)c3ccccc3o2)nc1
InChIInChI=1S/C19H18N2O3/c1-3-13-8-9-14(20-11-13)12-21(2)19(23)18-10-16(22)15-6-4-5-7-17(15)24-18/h4-11H,3,12H2,1-2H3
InChIKeyYNCXGOMSWNWXCG-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.02
Rot. Bonds4

About N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide

N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide (PubChem CID 56754468) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
PubChem CID56754468
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2cc(=O)c3ccccc3o2)nc1
InChIInChI=1S/C19H18N2O3/c1-3-13-8-9-14(20-11-13)12-21(2)19(23)18-10-16(22)15-6-4-5-7-17(15)24-18/h4-11H,3,12H2,1-2H3
InChIKeyYNCXGOMSWNWXCG-UHFFFAOYSA-N
XLogP3.02
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide (CID 56754468) is N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide is CCc1ccc(CN(C)C(=O)c2cc(=O)c3ccccc3o2)nc1.
What is the InChIKey of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide?
The InChIKey is YNCXGOMSWNWXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-13-8-9-14(20-11-13)12-21(2)19(23)18-10-16(22)15-6-4-5-7-17(15)24-18/h4-11H,3,12H2,1-2H3.
What are the key properties of N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide?
N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 56754468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).