5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one

C14H24N2O — CID 54863912

IUPAC5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one
SMILESCCCn1cc(NC(CC)C(C)C)ccc1=O
InChIInChI=1S/C14H24N2O/c1-5-9-16-10-12(7-8-14(16)17)15-13(6-2)11(3)4/h7-8,10-11,13,15H,5-6,9H2,1-4H3
InChIKeyGZFCENKGQHBSFU-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.10
Rot. Bonds6

About 5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one

5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one (PubChem CID 54863912) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one
PubChem CID54863912
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one
SMILESCCCn1cc(NC(CC)C(C)C)ccc1=O
InChIInChI=1S/C14H24N2O/c1-5-9-16-10-12(7-8-14(16)17)15-13(6-2)11(3)4/h7-8,10-11,13,15H,5-6,9H2,1-4H3
InChIKeyGZFCENKGQHBSFU-UHFFFAOYSA-N
XLogP3.10
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one?
The IUPAC name of 5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one (CID 54863912) is 5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one.
What is the SMILES notation for 5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one?
The canonical SMILES for 5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one is CCCn1cc(NC(CC)C(C)C)ccc1=O.
What is the InChIKey of 5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one?
The InChIKey is GZFCENKGQHBSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-9-16-10-12(7-8-14(16)17)15-13(6-2)11(3)4/h7-8,10-11,13,15H,5-6,9H2,1-4H3.
What are the key properties of 5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one?
5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one has a molecular weight of 236.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpentan-3-ylamino)-1-propylpyridin-2-one is sourced from PubChem (CID 54863912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).