N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide

C16H16N4O2 — CID 121437540

IUPACN-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C#Cc2nccc(CCO)c2N)ccn1
InChIInChI=1S/C16H16N4O2/c1-11(22)20-15-10-12(4-7-19-15)2-3-14-16(17)13(6-9-21)5-8-18-14/h4-5,7-8,10,21H,6,9,17H2,1H3,(H,19,20,22)
InChIKeyPQMYJKHKOZIBIA-UHFFFAOYSA-N
MW296.33 g/mol
LogP0.95
Rot. Bonds3

About N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide

N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide (PubChem CID 121437540) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide
PubChem CID121437540
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C#Cc2nccc(CCO)c2N)ccn1
InChIInChI=1S/C16H16N4O2/c1-11(22)20-15-10-12(4-7-19-15)2-3-14-16(17)13(6-9-21)5-8-18-14/h4-5,7-8,10,21H,6,9,17H2,1H3,(H,19,20,22)
InChIKeyPQMYJKHKOZIBIA-UHFFFAOYSA-N
XLogP0.95
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(3-amino-6-bromo-4-cyano-2-pyridinyl)ethynyl]-2-pyridinyl]acetamide
CID 121411827
ethyl 2-[2-(2-acetamido-4-pyridinyl)ethynyl]-3-amino-6-chloropyridine-4-carboxylate
CID 121412014
N-[2-[2-(2-acetamido-4-pyridinyl)ethynyl]-6-methyl-3-pyridinyl]-2,2,2-trifluoroacetamide
CID 162687353
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-methylsulfanylacetamide
CID 102821240
2-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]acetamide
CID 102821194
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 102820969
N-[4-(3-aminoprop-1-ynyl)-2-pyridinyl]-2-phenylacetamide
CID 102821435
N-[4-(aminooxymethyl)-2-pyridinyl]acetamide
CID 45119420
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-3,5-dimethylbenzamide
CID 102821002
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148668
N-[5-[2-[2-[[4-(aminomethyl)-3-(trifluoromethyl)phenyl]carbamoylamino]-4-pyridinyl]ethynyl]-3-methyl-2-pyridinyl]acetamide
CID 123640934

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide (CID 121437540) is N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C#Cc2nccc(CCO)c2N)ccn1.
What is the InChIKey of N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide?
The InChIKey is PQMYJKHKOZIBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11(22)20-15-10-12(4-7-19-15)2-3-14-16(17)13(6-9-21)5-8-18-14/h4-5,7-8,10,21H,6,9,17H2,1H3,(H,19,20,22).
What are the key properties of N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide?
N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide has a molecular weight of 296.33 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-amino-4-(2-hydroxyethyl)-2-pyridinyl]ethynyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 121437540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).