N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide

C16H15N3O2 — CID 107148668

IUPACN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1CC(=O)Nc1cc(C#CCO)ccn1
InChIInChI=1S/C16H15N3O2/c1-12-4-2-7-17-14(12)11-16(21)19-15-10-13(5-3-9-20)6-8-18-15/h2,4,6-8,10,20H,9,11H2,1H3,(H,18,19,21)
InChIKeyMTBVFNHFAHEFMG-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.31
Rot. Bonds3

About N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide

N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide (PubChem CID 107148668) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide
PubChem CID107148668
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide
SMILESCc1cccnc1CC(=O)Nc1cc(C#CCO)ccn1
InChIInChI=1S/C16H15N3O2/c1-12-4-2-7-17-14(12)11-16(21)19-15-10-13(5-3-9-20)6-8-18-15/h2,4,6-8,10,20H,9,11H2,1H3,(H,18,19,21)
InChIKeyMTBVFNHFAHEFMG-UHFFFAOYSA-N
XLogP1.31
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 102820969
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methylfuran-2-carboxamide
CID 102820944
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methylthiophene-2-carboxamide
CID 102821001
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
2,6-difluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]benzamide
CID 102820907
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,5-dimethylpyrrole-2-carboxamide
CID 102820804
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 102820945
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
CID 102821435
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-1,3-dimethylpyrazole-4-carboxamide
CID 102820967
2-fluoro-N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-4-methylbenzamide
CID 102820853

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide?
The IUPAC name of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide (CID 107148668) is N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide?
The canonical SMILES for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide is Cc1cccnc1CC(=O)Nc1cc(C#CCO)ccn1.
What is the InChIKey of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide?
The InChIKey is MTBVFNHFAHEFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-4-2-7-17-14(12)11-16(21)19-15-10-13(5-3-9-20)6-8-18-15/h2,4,6-8,10,20H,9,11H2,1H3,(H,18,19,21).
What are the key properties of N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide?
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide has a molecular weight of 281.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 107148668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).