5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one

C17H23N3O — CID 62001808

IUPAC5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one
SMILESCc1cc(C)cc(N(C)CCCn2cc(N)ccc2=O)c1
InChIInChI=1S/C17H23N3O/c1-13-9-14(2)11-16(10-13)19(3)7-4-8-20-12-15(18)5-6-17(20)21/h5-6,9-12H,4,7-8,18H2,1-3H3
InChIKeyRWOJWPONDKNKSX-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.57
Rot. Bonds5

About 5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one

5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one (PubChem CID 62001808) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one
PubChem CID62001808
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one
SMILESCc1cc(C)cc(N(C)CCCn2cc(N)ccc2=O)c1
InChIInChI=1S/C17H23N3O/c1-13-9-14(2)11-16(10-13)19(3)7-4-8-20-12-15(18)5-6-17(20)21/h5-6,9-12H,4,7-8,18H2,1-3H3
InChIKeyRWOJWPONDKNKSX-UHFFFAOYSA-N
XLogP2.57
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one (CID 62001808) is 5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one is Cc1cc(C)cc(N(C)CCCn2cc(N)ccc2=O)c1.
What is the InChIKey of 5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one?
The InChIKey is RWOJWPONDKNKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-9-14(2)11-16(10-13)19(3)7-4-8-20-12-15(18)5-6-17(20)21/h5-6,9-12H,4,7-8,18H2,1-3H3.
What are the key properties of 5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one?
5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[3-(N,3,5-trimethylanilino)propyl]pyridin-2-one is sourced from PubChem (CID 62001808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).