3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone

C23H31N5O — CID 74226160

IUPAC3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
SMILESCCc1ncc(CN2CCC(c3nc(C)ccc3C(=O)N3CC=CCC3)CC2)[nH]1
InChIInChI=1S/C23H31N5O/c1-3-21-24-15-19(26-21)16-27-13-9-18(10-14-27)22-20(8-7-17(2)25-22)23(29)28-11-5-4-6-12-28/h4-5,7-8,15,18H,3,6,9-14,16H2,1-2H3,(H,24,26)
InChIKeyMULSRJVJSSEGNU-UHFFFAOYSA-N
MW393.54 g/mol
LogP3.46
Rot. Bonds5

About 3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone

3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone (PubChem CID 74226160) has the molecular formula C23H31N5O and a molecular weight of 393.54 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
PubChem CID74226160
Molecular FormulaC23H31N5O
Molecular Weight393.54 g/mol
Exact Mass393.25
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone
SMILESCCc1ncc(CN2CCC(c3nc(C)ccc3C(=O)N3CC=CCC3)CC2)[nH]1
InChIInChI=1S/C23H31N5O/c1-3-21-24-15-19(26-21)16-27-13-9-18(10-14-27)22-20(8-7-17(2)25-22)23(29)28-11-5-4-6-12-28/h4-5,7-8,15,18H,3,6,9-14,16H2,1-2H3,(H,24,26)
InChIKeyMULSRJVJSSEGNU-UHFFFAOYSA-N
XLogP3.46
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone (CID 74226160) is 3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone is CCc1ncc(CN2CCC(c3nc(C)ccc3C(=O)N3CC=CCC3)CC2)[nH]1.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone?
The InChIKey is MULSRJVJSSEGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O/c1-3-21-24-15-19(26-21)16-27-13-9-18(10-14-27)22-20(8-7-17(2)25-22)23(29)28-11-5-4-6-12-28/h4-5,7-8,15,18H,3,6,9-14,16H2,1-2H3,(H,24,26).
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone?
3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone has a molecular weight of 393.54 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-[2-[1-[(2-ethyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-6-methyl-3-pyridinyl]methanone is sourced from PubChem (CID 74226160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).