3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one

C16H19ClN2O2 — CID 82526973

IUPAC3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one
SMILESCCCn1cccc(C(N)c2cc(Cl)ccc2OC)c1=O
InChIInChI=1S/C16H19ClN2O2/c1-3-8-19-9-4-5-12(16(19)20)15(18)13-10-11(17)6-7-14(13)21-2/h4-7,9-10,15H,3,8,18H2,1-2H3
InChIKeyMKQXXSDOOFOIAP-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.97
Rot. Bonds5

About 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one

3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one (PubChem CID 82526973) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one
PubChem CID82526973
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one
SMILESCCCn1cccc(C(N)c2cc(Cl)ccc2OC)c1=O
InChIInChI=1S/C16H19ClN2O2/c1-3-8-19-9-4-5-12(16(19)20)15(18)13-10-11(17)6-7-14(13)21-2/h4-7,9-10,15H,3,8,18H2,1-2H3
InChIKeyMKQXXSDOOFOIAP-UHFFFAOYSA-N
XLogP2.97
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[amino-(3-chloro-4-methoxyphenyl)methyl]-1-ethylpyridin-2-one
CID 82527206
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
3-[amino-(4-chlorophenyl)methyl]-1-(3-methoxypropyl)pyridin-2-one
CID 82526360
(5-chloro-2-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 105024912
3-[amino-(2-methoxy-5-methylphenyl)methyl]-1,6-dimethylpyridin-2-one
CID 82525489
(1R)-1-(5-chloro-2-methoxyphenyl)propan-1-amine;hydrochloride
CID 171215023
1-(5-chloro-2-methoxyphenyl)-2-propylpentan-1-amine
CID 104545774
1-(5-chloro-2-methoxyphenyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 61319375
(5-chloro-2-methoxyphenyl)-(5-ethylfuran-2-yl)methanamine
CID 55061748
(5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362666
ethyl (3S)-3-amino-3-(5-chloro-2-methoxyphenyl)-2-fluoropropanoate
CID 171251378
2-chloro-1-(5-chloro-2-methoxyphenyl)ethanamine
CID 116937510

Frequently Asked Questions

What is the IUPAC name of 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one?
The IUPAC name of 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one (CID 82526973) is 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one.
What is the SMILES notation for 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one?
The canonical SMILES for 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one is CCCn1cccc(C(N)c2cc(Cl)ccc2OC)c1=O.
What is the InChIKey of 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one?
The InChIKey is MKQXXSDOOFOIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-3-8-19-9-4-5-12(16(19)20)15(18)13-10-11(17)6-7-14(13)21-2/h4-7,9-10,15H,3,8,18H2,1-2H3.
What are the key properties of 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one?
3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one has a molecular weight of 306.79 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-(5-chloro-2-methoxyphenyl)methyl]-1-propylpyridin-2-one is sourced from PubChem (CID 82526973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).