[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate

C25H28N4O3 — CID 91429843

IUPAC[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate
SMILESO=C(NCCCc1ccccc1)Oc1c(NCC(=O)c2ccccc2)nc2n1CCCC2
InChIInChI=1S/C25H28N4O3/c30-21(20-13-5-2-6-14-20)18-27-23-24(29-17-8-7-15-22(29)28-23)32-25(31)26-16-9-12-19-10-3-1-4-11-19/h1-6,10-11,13-14,27H,7-9,12,15-18H2,(H,26,31)
InChIKeyJTQVZKXMGSKNIA-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.24
Rot. Bonds9

About [2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate

[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate (PubChem CID 91429843) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is [2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate.

Molecular Properties

Compound Name[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate
PubChem CID91429843
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate
SMILESO=C(NCCCc1ccccc1)Oc1c(NCC(=O)c2ccccc2)nc2n1CCCC2
InChIInChI=1S/C25H28N4O3/c30-21(20-13-5-2-6-14-20)18-27-23-24(29-17-8-7-15-22(29)28-23)32-25(31)26-16-9-12-19-10-3-1-4-11-19/h1-6,10-11,13-14,27H,7-9,12,15-18H2,(H,26,31)
InChIKeyJTQVZKXMGSKNIA-UHFFFAOYSA-N
XLogP4.24
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68767376
ethyl [4-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperazin-1-yl] carbonate
CID 68903510
2-(5-methyl-2-oxo-1,4,8-triazatricyclo[7.4.0.03,7]trideca-3(7),5,8-trien-4-yl)-N-(3-phenylpropyl)acetamide
CID 91908685
ethyl [1-[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carbonyl]piperidin-4-yl] carbonate
CID 68901043
N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185
N-[3-[4-(azepan-1-yl)phenyl]propyl]benzamide
CID 16889785
N-[3-(4-piperidin-1-ylphenyl)propyl]benzamide
CID 16890191
4-phenyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 47044256
2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
CID 60550929
3-oxo-N-(3-phenylpropyl)-3-piperidin-1-ylpropanamide
CID 108942374
4-[[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propylcarbamoylamino]methyl]benzoic acid
CID 122003798
2-[benzoyl(methyl)amino]-N-benzyl-N-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 68770071

Frequently Asked Questions

What is the IUPAC name of [2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate?
The IUPAC name of [2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate (CID 91429843) is [2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate.
What is the SMILES notation for [2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate?
The canonical SMILES for [2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate is O=C(NCCCc1ccccc1)Oc1c(NCC(=O)c2ccccc2)nc2n1CCCC2.
What is the InChIKey of [2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate?
The InChIKey is JTQVZKXMGSKNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c30-21(20-13-5-2-6-14-20)18-27-23-24(29-17-8-7-15-22(29)28-23)32-25(31)26-16-9-12-19-10-3-1-4-11-19/h1-6,10-11,13-14,27H,7-9,12,15-18H2,(H,26,31).
What are the key properties of [2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate?
[2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate has a molecular weight of 432.52 g/mol, XLogP of 4.24, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenacylamino)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl] N-(3-phenylpropyl)carbamate is sourced from PubChem (CID 91429843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).