(E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

C20H30N4O2 — CID 24950731

IUPAC(E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)CNCc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C20H30N4O2/c1-19(2,3)13-21-12-15-18(20(4,5)6)22-16-11-14(9-10-24(15)16)7-8-17(25)23-26/h7-11,21,26H,12-13H2,1-6H3,(H,23,25)/b8-7+
InChIKeyYJZCXXRMXYFWRV-BQYQJAHWSA-N
MW358.49 g/mol
LogP3.29
Rot. Bonds5

About (E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide

(E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 24950731) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is (E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID24950731
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name(E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCC(C)(C)CNCc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C20H30N4O2/c1-19(2,3)13-21-12-15-18(20(4,5)6)22-16-11-14(9-10-24(15)16)7-8-17(25)23-26/h7-11,21,26H,12-13H2,1-6H3,(H,23,25)/b8-7+
InChIKeyYJZCXXRMXYFWRV-BQYQJAHWSA-N
XLogP3.29
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 24950731) is (E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CC(C)(C)CNCc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12.
What is the InChIKey of (E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is YJZCXXRMXYFWRV-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-19(2,3)13-21-12-15-18(20(4,5)6)22-16-11-14(9-10-24(15)16)7-8-17(25)23-26/h7-11,21,26H,12-13H2,1-6H3,(H,23,25)/b8-7+.
What are the key properties of (E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 358.49 g/mol, XLogP of 3.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-tert-butyl-3-[(2,2-dimethylpropylamino)methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 24950731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).