N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide

C19H20N2O2 — CID 66634983

IUPACN-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
SMILESCOc1ccc(C#Cc2ccc(CC(C)NC(C)=O)cc2)cn1
InChIInChI=1S/C19H20N2O2/c1-14(21-15(2)22)12-17-7-4-16(5-8-17)6-9-18-10-11-19(23-3)20-13-18/h4-5,7-8,10-11,13-14H,12H2,1-3H3,(H,21,22)
InChIKeyJCUOIESTVMCOPX-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.56
Rot. Bonds4

About N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide

N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide (PubChem CID 66634983) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
PubChem CID66634983
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
SMILESCOc1ccc(C#Cc2ccc(CC(C)NC(C)=O)cc2)cn1
InChIInChI=1S/C19H20N2O2/c1-14(21-15(2)22)12-17-7-4-16(5-8-17)6-9-18-10-11-19(23-3)20-13-18/h4-5,7-8,10-11,13-14H,12H2,1-3H3,(H,21,22)
InChIKeyJCUOIESTVMCOPX-UHFFFAOYSA-N
XLogP2.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methane;N-[(2S)-1-[4-[2-(6-phenoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 159102988
N-[1-[4-[2-[2-(2-methoxyethoxy)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 90429585
N-[1-[4-[2-[2-(2-methoxyethylamino)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 66635291
N-[1-[4-[2-[4-(methylaminomethyl)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 123967910
N-[1-[4-[2-[2-(2-methylbutylamino)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 66635520
N-[1-[4-[2-[2-(3,3,3-trifluoropropylamino)pyrimidin-5-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 66635165
N-[1-[4-[2-[4-(3,3,3-trifluoropropoxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 90429515
N-[1-[4-[2-(2-phenylmethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide
CID 66635020
N-[1-[4-[2-[4-(oxetan-3-yloxy)phenyl]ethynyl]phenyl]propan-2-yl]acetamide
CID 56925028
N-[1-[4-[2-[2-(ethylamino)pyrimidin-4-yl]ethynyl]phenyl]propan-2-yl]acetamide
CID 66635496
N-[2-[4-[2-(6-ethoxy-3-pyridinyl)ethynyl]phenyl]ethyl]acetamide
CID 66634867
3-[1-[4-[2-(2-ethoxy-4-pyridinyl)ethynyl]phenyl]propan-2-yl]-1,1-dimethylurea
CID 66635532

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide (CID 66634983) is N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide is COc1ccc(C#Cc2ccc(CC(C)NC(C)=O)cc2)cn1.
What is the InChIKey of N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide?
The InChIKey is JCUOIESTVMCOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14(21-15(2)22)12-17-7-4-16(5-8-17)6-9-18-10-11-19(23-3)20-13-18/h4-5,7-8,10-11,13-14H,12H2,1-3H3,(H,21,22).
What are the key properties of N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide?
N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide has a molecular weight of 308.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(6-methoxy-3-pyridinyl)ethynyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 66634983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).