3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

C18H26N6O2 — CID 70780935

IUPAC3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCn1c(CN(C)C)nnc1C1CCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C18H26N6O2/c1-4-24-15(12-22(2)3)20-21-16(24)13-7-10-23(11-8-13)18(26)14-6-5-9-19-17(14)25/h5-6,9,13H,4,7-8,10-12H2,1-3H3,(H,19,25)
InChIKeyBHHRXVALZSUMKJ-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.07
Rot. Bonds5

About 3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one

3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70780935) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70780935
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCn1c(CN(C)C)nnc1C1CCN(C(=O)c2ccc[nH]c2=O)CC1
InChIInChI=1S/C18H26N6O2/c1-4-24-15(12-22(2)3)20-21-16(24)13-7-10-23(11-8-13)18(26)14-6-5-9-19-17(14)25/h5-6,9,13H,4,7-8,10-12H2,1-3H3,(H,19,25)
InChIKeyBHHRXVALZSUMKJ-UHFFFAOYSA-N
XLogP1.07
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70780935) is 3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is CCn1c(CN(C)C)nnc1C1CCN(C(=O)c2ccc[nH]c2=O)CC1.
What is the InChIKey of 3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is BHHRXVALZSUMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-4-24-15(12-22(2)3)20-21-16(24)13-7-10-23(11-8-13)18(26)14-6-5-9-19-17(14)25/h5-6,9,13H,4,7-8,10-12H2,1-3H3,(H,19,25).
What are the key properties of 3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 358.45 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[5-[(dimethylamino)methyl]-4-ethyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70780935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).