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

C18H30N2O — CID 65091016

IUPAC5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC2CCCC(C(C)C)CC2)ccc1=O
InChIInChI=1S/C18H30N2O/c1-4-12-20-13-17(10-11-18(20)21)19-16-7-5-6-15(8-9-16)14(2)3/h10-11,13-16,19H,4-9,12H2,1-3H3
InChIKeySMQCBFHFOFHXDN-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.28
Rot. Bonds5

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

5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one (PubChem CID 65091016) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one.

Molecular Properties

Compound Name5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one
PubChem CID65091016
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one
SMILESCCCn1cc(NC2CCCC(C(C)C)CC2)ccc1=O
InChIInChI=1S/C18H30N2O/c1-4-12-20-13-17(10-11-18(20)21)19-16-7-5-6-15(8-9-16)14(2)3/h10-11,13-16,19H,4-9,12H2,1-3H3
InChIKeySMQCBFHFOFHXDN-UHFFFAOYSA-N
XLogP4.28
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-methylcycloheptyl)amino]-1-propylpyridin-2-one
CID 65080429
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
5-[1-(1-ethylpiperidin-3-yl)ethylamino]-1-propylpyridin-2-one
CID 60942690
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-(3,4-dihydro-2H-thiochromen-4-ylamino)-1-propylpyridin-2-one
CID 60942800
5-(1-cyclopropylethylamino)-1-ethylpyridin-2-one
CID 60944027

Frequently Asked Questions

What is the IUPAC name of 5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one?
The IUPAC name of 5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one (CID 65091016) is 5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one.
What is the SMILES notation for 5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one?
The canonical SMILES for 5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one is CCCn1cc(NC2CCCC(C(C)C)CC2)ccc1=O.
What is the InChIKey of 5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one?
The InChIKey is SMQCBFHFOFHXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-12-20-13-17(10-11-18(20)21)19-16-7-5-6-15(8-9-16)14(2)3/h10-11,13-16,19H,4-9,12H2,1-3H3.
What are the key properties of 5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one?
5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one has a molecular weight of 290.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-propan-2-ylcycloheptyl)amino]-1-propylpyridin-2-one is sourced from PubChem (CID 65091016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).