2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide

C17H16N2O3 — CID 96556810

IUPAC2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(C[C@@H]1CC(=O)Oc2ccccc21)NCc1ccncc1
InChIInChI=1S/C17H16N2O3/c20-16(19-11-12-5-7-18-8-6-12)9-13-10-17(21)22-15-4-2-1-3-14(13)15/h1-8,13H,9-11H2,(H,19,20)/t13-/m1/s1
InChIKeyUCXXRIKIHDCTFN-CYBMUJFWSA-N
MW296.33 g/mol
LogP2.18
Rot. Bonds4

About 2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide

2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 96556810) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID96556810
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide
SMILESO=C(C[C@@H]1CC(=O)Oc2ccccc21)NCc1ccncc1
InChIInChI=1S/C17H16N2O3/c20-16(19-11-12-5-7-18-8-6-12)9-13-10-17(21)22-15-4-2-1-3-14(13)15/h1-8,13H,9-11H2,(H,19,20)/t13-/m1/s1
InChIKeyUCXXRIKIHDCTFN-CYBMUJFWSA-N
XLogP2.18
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 80573900
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide
CID 96558451
1-(2,3-dihydro-1-benzofuran-3-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 79226899
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
2-(2,3-dihydro-1H-indol-3-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 80572253
4-(quinolin-2-ylmethyl)-3,4-dihydrochromen-2-one
CID 102227366
(3S)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 1092700
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110754905
trans-(1R,2R)-2-naphthalen-1-yl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 97084371
2-(2,3-dihydro-1H-indol-3-yl)-N-[(4-hydroxyphenyl)methyl]acetamide
CID 114332228
N-(2-methylpropyl)-2-[(4S)-1'-(pyridin-4-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376645

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide (CID 96556810) is 2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide is O=C(C[C@@H]1CC(=O)Oc2ccccc21)NCc1ccncc1.
What is the InChIKey of 2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is UCXXRIKIHDCTFN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-16(19-11-12-5-7-18-8-6-12)9-13-10-17(21)22-15-4-2-1-3-14(13)15/h1-8,13H,9-11H2,(H,19,20)/t13-/m1/s1.
What are the key properties of 2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide?
2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 296.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 96556810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).