1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one

C14H20N2O — CID 82526601

IUPAC1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one
SMILESO=c1c(CNC2CC2)cccn1C1CCCC1
InChIInChI=1S/C14H20N2O/c17-14-11(10-15-12-7-8-12)4-3-9-16(14)13-5-1-2-6-13/h3-4,9,12-13,15H,1-2,5-8,10H2
InChIKeyNKPKYZHCLRPALJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.22
Rot. Bonds4

About 1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one

1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one (PubChem CID 82526601) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one
PubChem CID82526601
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one
SMILESO=c1c(CNC2CC2)cccn1C1CCCC1
InChIInChI=1S/C14H20N2O/c17-14-11(10-15-12-7-8-12)4-3-9-16(14)13-5-1-2-6-13/h3-4,9,12-13,15H,1-2,5-8,10H2
InChIKeyNKPKYZHCLRPALJ-UHFFFAOYSA-N
XLogP2.22
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-1-cyclopentylpyridin-2-one
CID 82526593
1-cyclopentyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82526599
3-(aminomethyl)-1-cyclopentylpyridin-2-one
CID 82186493
3-(butylaminomethyl)-1-cyclopentylpyridin-2-one
CID 82526600
1-cyclopropyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82527082
3-(aminomethyl)-1-cyclopropylpyridin-2-one
CID 82186489
3-[(cyclopentylamino)methyl]-1-pentylpyridin-2-one
CID 82526710
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]cyclopentanamine
CID 75414784
3-[(cyclopropylamino)methyl]-1H-pyridin-2-one
CID 82527356
N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutanamine
CID 70874720
1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 70588854
2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one?
The IUPAC name of 1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one (CID 82526601) is 1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one.
What is the SMILES notation for 1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one?
The canonical SMILES for 1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one is O=c1c(CNC2CC2)cccn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one?
The InChIKey is NKPKYZHCLRPALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c17-14-11(10-15-12-7-8-12)4-3-9-16(14)13-5-1-2-6-13/h3-4,9,12-13,15H,1-2,5-8,10H2.
What are the key properties of 1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one?
1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(cyclopropylamino)methyl]pyridin-2-one is sourced from PubChem (CID 82526601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).