1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one

C22H26N6O2 — CID 171100526

IUPAC1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one
SMILESO=c1c(-c2cnn(C3CCCCO3)n2)cccn1-c1ccc(NC2CCCC2)nc1
InChIInChI=1S/C22H26N6O2/c29-22-18(19-15-24-28(26-19)21-9-3-4-13-30-21)8-5-12-27(22)17-10-11-20(23-14-17)25-16-6-1-2-7-16/h5,8,10-12,14-16,21H,1-4,6-7,9,13H2,(H,23,25)
InChIKeyPJADBWGZCMBSLP-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.54
Rot. Bonds5

About 1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one

1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one (PubChem CID 171100526) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one
PubChem CID171100526
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one
SMILESO=c1c(-c2cnn(C3CCCCO3)n2)cccn1-c1ccc(NC2CCCC2)nc1
InChIInChI=1S/C22H26N6O2/c29-22-18(19-15-24-28(26-19)21-9-3-4-13-30-21)8-5-12-27(22)17-10-11-20(23-14-17)25-16-6-1-2-7-16/h5,8,10-12,14-16,21H,1-4,6-7,9,13H2,(H,23,25)
InChIKeyPJADBWGZCMBSLP-UHFFFAOYSA-N
XLogP3.54
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one?
The IUPAC name of 1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one (CID 171100526) is 1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one?
The canonical SMILES for 1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one is O=c1c(-c2cnn(C3CCCCO3)n2)cccn1-c1ccc(NC2CCCC2)nc1.
What is the InChIKey of 1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one?
The InChIKey is PJADBWGZCMBSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c29-22-18(19-15-24-28(26-19)21-9-3-4-13-30-21)8-5-12-27(22)17-10-11-20(23-14-17)25-16-6-1-2-7-16/h5,8,10-12,14-16,21H,1-4,6-7,9,13H2,(H,23,25).
What are the key properties of 1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one?
1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one has a molecular weight of 406.49 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopentylamino)-3-pyridinyl]-3-[2-(oxan-2-yl)triazol-4-yl]pyridin-2-one is sourced from PubChem (CID 171100526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).