N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

C15H24N4O — CID 50976258

IUPACN-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1=CCCN(Cc2nccn2C(C)C)C1
InChIInChI=1S/C15H24N4O/c1-12(2)19-8-6-16-15(19)11-18-7-4-5-14(10-18)9-17-13(3)20/h5-6,8,12H,4,7,9-11H2,1-3H3,(H,17,20)
InChIKeyUWLHYFPPFXKSRB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.73
Rot. Bonds5

About N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide

N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide (PubChem CID 50976258) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
PubChem CID50976258
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1=CCCN(Cc2nccn2C(C)C)C1
InChIInChI=1S/C15H24N4O/c1-12(2)19-8-6-16-15(19)11-18-7-4-5-14(10-18)9-17-13(3)20/h5-6,8,12H,4,7,9-11H2,1-3H3,(H,17,20)
InChIKeyUWLHYFPPFXKSRB-UHFFFAOYSA-N
XLogP1.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

US11787802, Example 32
CID 169489610
5-ethyl-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 44271288
5-chloro-2-hydroxy-N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]nicotinamide
CID 56722552
6-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 72047209
5-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 72144088
N-(4-aminobutyl)-N-[2-[(2-amino-2-oxoethyl)-(3-imidazol-1-ylpropyl)amino]-2-oxoethyl]-2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]acetamide
CID 145984371
N-(2-(2-methyl-1H-imidazol-1-yl)ethyl)pent-4-enamide
CID 52992831
N-(6-hydroxynicotinyl)-imidazole
CID 69980218
2-[ethyl-[(1-ethylimidazol-2-yl)methyl]amino]-N-propan-2-ylacetamide
CID 56822577
1-Methyl-1-[(1-methylimidazol-2-yl)methyl]-3-prop-2-enylurea
CID 75397406
6-tert-butyl-N-ethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 90650157
N~3~-[(1-ethyl-1H-imidazol-2-yl)methyl]-N~1~-isopropyl-N~3~-methyl-beta-alaninamide
CID 91837682

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The IUPAC name of N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide (CID 50976258) is N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide is CC(=O)NCC1=CCCN(Cc2nccn2C(C)C)C1.
What is the InChIKey of N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
The InChIKey is UWLHYFPPFXKSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)19-8-6-16-15(19)11-18-7-4-5-14(10-18)9-17-13(3)20/h5-6,8,12H,4,7,9-11H2,1-3H3,(H,17,20).
What are the key properties of N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide?
N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-propan-2-ylimidazol-2-yl)methyl]-3,6-dihydro-2H-pyridin-5-yl]methyl]acetamide is sourced from PubChem (CID 50976258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).