5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one

C16H26N2O — CID 65080429

IUPAC5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC2CCCC(C)CC2)ccc1=O
InChIInChI=1S/C16H26N2O/c1-3-11-18-12-15(9-10-16(18)19)17-14-6-4-5-13(2)7-8-14/h9-10,12-14,17H,3-8,11H2,1-2H3
InChIKeyVWINRBIDZJTZCO-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.64
Rot. Bonds4

About 5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one

5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one (PubChem CID 65080429) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one
PubChem CID65080429
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC2CCCC(C)CC2)ccc1=O
InChIInChI=1S/C16H26N2O/c1-3-11-18-12-15(9-10-16(18)19)17-14-6-4-5-13(2)7-8-14/h9-10,12-14,17H,3-8,11H2,1-2H3
InChIKeyVWINRBIDZJTZCO-UHFFFAOYSA-N
XLogP3.64
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one
CID 65091016
5-[(1,1-dioxothian-4-yl)amino]-1-propylpyridin-2-one
CID 54863769
5-(cyclopropylamino)-1-ethylpyridin-2-one
CID 103439175
5-(cycloheptylamino)-1-(2-methoxyethyl)pyridin-2-one
CID 43733432
1-(2-methoxyethyl)-5-[(1-propylpiperidin-4-yl)amino]pyridin-2-one
CID 43733440
5-[(2-methylsulfonylcyclopentyl)amino]-1-propylpyridin-2-one
CID 65046145
1-methyl-5-[(3-methylcyclohexyl)amino]pyridin-2-one
CID 60932533
2-(cyclopropylamino)-N-(6-oxo-1-propyl-3-pyridinyl)acetamide
CID 54862565
5-(cyclohexylamino)-1-methylpyridin-2-one
CID 50988993
3-[(6-oxo-1-propyl-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 54866746
5-[(3,5-dimethylcyclohexyl)amino]-1-(2-methoxyethyl)pyridin-2-one
CID 64751006
5-(3,4-dihydro-2H-thiochromen-4-ylamino)-1-propylpyridin-2-one
CID 60942800

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one?
The IUPAC name of 5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one (CID 65080429) is 5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one is CCCn1cc(NC2CCCC(C)CC2)ccc1=O.
What is the InChIKey of 5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one?
The InChIKey is VWINRBIDZJTZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-11-18-12-15(9-10-16(18)19)17-14-6-4-5-13(2)7-8-14/h9-10,12-14,17H,3-8,11H2,1-2H3.
What are the key properties of 5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one?
5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one has a molecular weight of 262.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one is sourced from PubChem (CID 65080429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).