[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

C19H26N6O — CID 75396704

IUPAC[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCC1CCN(c2ccc(C(=O)N3CCCC3c3nncn3C)cn2)CC1
InChIInChI=1S/C19H26N6O/c1-14-7-10-24(11-8-14)17-6-5-15(12-20-17)19(26)25-9-3-4-16(25)18-22-21-13-23(18)2/h5-6,12-14,16H,3-4,7-11H2,1-2H3
InChIKeyFWUVOZCEHNBDSR-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.42
Rot. Bonds3

About [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone

[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 75396704) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID75396704
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCC1CCN(c2ccc(C(=O)N3CCCC3c3nncn3C)cn2)CC1
InChIInChI=1S/C19H26N6O/c1-14-7-10-24(11-8-14)17-6-5-15(12-20-17)19(26)25-9-3-4-16(25)18-22-21-13-23(18)2/h5-6,12-14,16H,3-4,7-11H2,1-2H3
InChIKeyFWUVOZCEHNBDSR-UHFFFAOYSA-N
XLogP2.42
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone (CID 75396704) is [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is CC1CCN(c2ccc(C(=O)N3CCCC3c3nncn3C)cn2)CC1.
What is the InChIKey of [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is FWUVOZCEHNBDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-14-7-10-24(11-8-14)17-6-5-15(12-20-17)19(26)25-9-3-4-16(25)18-22-21-13-23(18)2/h5-6,12-14,16H,3-4,7-11H2,1-2H3.
What are the key properties of [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone?
[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 354.46 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 75396704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).