1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one

C16H26N4O — CID 134220718

IUPAC1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one
SMILESCC(C)n1ccnc1CCC(=O)N1CCC=C(N(C)C)C1
InChIInChI=1S/C16H26N4O/c1-13(2)20-11-9-17-15(20)7-8-16(21)19-10-5-6-14(12-19)18(3)4/h6,9,11,13H,5,7-8,10,12H2,1-4H3
InChIKeySRBMIOJCIHSQIK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.07
Rot. Bonds5

About 1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one

1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one (PubChem CID 134220718) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one
PubChem CID134220718
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one
SMILESCC(C)n1ccnc1CCC(=O)N1CCC=C(N(C)C)C1
InChIInChI=1S/C16H26N4O/c1-13(2)20-11-9-17-15(20)7-8-16(21)19-10-5-6-14(12-19)18(3)4/h6,9,11,13H,5,7-8,10,12H2,1-4H3
InChIKeySRBMIOJCIHSQIK-UHFFFAOYSA-N
XLogP2.07
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one (CID 134220718) is 1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one is CC(C)n1ccnc1CCC(=O)N1CCC=C(N(C)C)C1.
What is the InChIKey of 1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one?
The InChIKey is SRBMIOJCIHSQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-13(2)20-11-9-17-15(20)7-8-16(21)19-10-5-6-14(12-19)18(3)4/h6,9,11,13H,5,7-8,10,12H2,1-4H3.
What are the key properties of 1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one?
1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one has a molecular weight of 290.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-3,6-dihydro-2H-pyridin-1-yl]-3-(1-propan-2-ylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 134220718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).