1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one

C17H22N2O2 — CID 82056239

IUPAC1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one
SMILESCCCCCOc1cccn(Cc2ccc(N)cc2)c1=O
InChIInChI=1S/C17H22N2O2/c1-2-3-4-12-21-16-6-5-11-19(17(16)20)13-14-7-9-15(18)10-8-14/h5-11H,2-4,12-13,18H2,1H3
InChIKeyMKFHCKGWHFJKOV-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.05
Rot. Bonds7

About 1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one

1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one (PubChem CID 82056239) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one.

Molecular Properties

Compound Name1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one
PubChem CID82056239
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one
SMILESCCCCCOc1cccn(Cc2ccc(N)cc2)c1=O
InChIInChI=1S/C17H22N2O2/c1-2-3-4-12-21-16-6-5-11-19(17(16)20)13-14-7-9-15(18)10-8-14/h5-11H,2-4,12-13,18H2,1H3
InChIKeyMKFHCKGWHFJKOV-UHFFFAOYSA-N
XLogP3.05
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[[4-(aminomethyl)phenyl]methyl]-3-heptoxypyridin-2-one
CID 82151500
5-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]furan-2-carboxylic acid
CID 82056227
3-[(2-oxo-3-pentoxy-1-pyridinyl)methyl]benzonitrile
CID 82150610
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733
1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151905
2-(3-heptoxy-2-oxo-1-pyridinyl)acetic acid
CID 82056085
3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
CID 98646565
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one
CID 82151907
1-[3-(4-aminophenoxy)propyl]-3-(3-hydroxypropoxy)pyridin-2-one
CID 94758715
4-[[3-[2-(dimethylamino)ethoxy]-2-oxo-1-pyridinyl]methyl]benzonitrile
CID 82150670
1-[2-(3-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151843

Frequently Asked Questions

What is the IUPAC name of 1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one?
The IUPAC name of 1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one (CID 82056239) is 1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one.
What is the SMILES notation for 1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one?
The canonical SMILES for 1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one is CCCCCOc1cccn(Cc2ccc(N)cc2)c1=O.
What is the InChIKey of 1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one?
The InChIKey is MKFHCKGWHFJKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-3-4-12-21-16-6-5-11-19(17(16)20)13-14-7-9-15(18)10-8-14/h5-11H,2-4,12-13,18H2,1H3.
What are the key properties of 1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one?
1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one has a molecular weight of 286.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-aminophenyl)methyl]-3-pentoxypyridin-2-one is sourced from PubChem (CID 82056239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).