1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one

C11H11N3O — CID 79250702

IUPAC1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one
SMILESNc1ccnc(Cn2ccc(=O)cc2)c1
InChIInChI=1S/C11H11N3O/c12-9-1-4-13-10(7-9)8-14-5-2-11(15)3-6-14/h1-7H,8H2,(H2,12,13)
InChIKeyYHHIUDADWISMME-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.87
Rot. Bonds2

About 1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one

1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one (PubChem CID 79250702) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one
PubChem CID79250702
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one
SMILESNc1ccnc(Cn2ccc(=O)cc2)c1
InChIInChI=1S/C11H11N3O/c12-9-1-4-13-10(7-9)8-14-5-2-11(15)3-6-14/h1-7H,8H2,(H2,12,13)
InChIKeyYHHIUDADWISMME-UHFFFAOYSA-N
XLogP0.87
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-Pyridin-4-ylacetamide
CID 21288
1-(4-Pyridyl)piperazine
CID 70517
2,6-Bis(2-pyridyl)-4(1H)-pyridone
CID 619353
Medorinone
CID 5362132
N-Phenyl-2-pyridinemethanamine
CID 78027
Caerulomycin H
CID 53484026
N-(pyridin-3-yl)prop-2-enamide
CID 43616243
N-phenylpyridin-4-amine
CID 89945
4-Amino-2-methylpyridine
CID 728670
N-(pyridin-2-ylmethyl)acetamide
CID 5084090
N-[3-(dimethylamino)propyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1921168
2-Methyl-1-phenylcarbamoylmethyl-pyridinium
CID 24746771

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one?
The IUPAC name of 1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one (CID 79250702) is 1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one.
What is the SMILES notation for 1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one?
The canonical SMILES for 1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one is Nc1ccnc(Cn2ccc(=O)cc2)c1.
What is the InChIKey of 1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one?
The InChIKey is YHHIUDADWISMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-9-1-4-13-10(7-9)8-14-5-2-11(15)3-6-14/h1-7H,8H2,(H2,12,13).
What are the key properties of 1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one?
1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one has a molecular weight of 201.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-pyridinyl)methyl]pyridin-4-one is sourced from PubChem (CID 79250702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).