N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide

C21H19N3O2 — CID 159265586

IUPACN-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(CC(=O)Cc3ccccc3)c2)ccn1
InChIInChI=1S/C21H19N3O2/c1-15(25)24-21-12-18(7-8-23-21)19-9-17(13-22-14-19)11-20(26)10-16-5-3-2-4-6-16/h2-9,12-14H,10-11H2,1H3,(H,23,24,25)
InChIKeyKXBCPEVUUVXMLR-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.46
Rot. Bonds6

About N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 159265586) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID159265586
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cncc(CC(=O)Cc3ccccc3)c2)ccn1
InChIInChI=1S/C21H19N3O2/c1-15(25)24-21-12-18(7-8-23-21)19-9-17(13-22-14-19)11-20(26)10-16-5-3-2-4-6-16/h2-9,12-14H,10-11H2,1H3,(H,23,24,25)
InChIKeyKXBCPEVUUVXMLR-UHFFFAOYSA-N
XLogP3.46
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 100472
Wnt-974
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Gnf6231
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N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
2-methyl-N-pyridin-2-ylbenzamide
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2-(4-isobutylphenyl)-N-(3-methylpyridin-2-yl)propanamide
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5H-Benzo(c)(1,8)naphthyridin-6-one
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6-(4-{[4-(Propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide (CID 159265586) is N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cncc(CC(=O)Cc3ccccc3)c2)ccn1.
What is the InChIKey of N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is KXBCPEVUUVXMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-15(25)24-21-12-18(7-8-23-21)19-9-17(13-22-14-19)11-20(26)10-16-5-3-2-4-6-16/h2-9,12-14H,10-11H2,1H3,(H,23,24,25).
What are the key properties of N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2-oxo-3-phenylpropyl)-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 159265586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).