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

C19H28N4O2 — CID 11951280

IUPAC(E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCNCc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C19H28N4O2/c1-5-6-10-20-13-15-18(19(2,3)4)21-16-12-14(9-11-23(15)16)7-8-17(24)22-25/h7-9,11-12,20,25H,5-6,10,13H2,1-4H3,(H,22,24)/b8-7+
InChIKeyJBFQPMGBCKWKKO-BQYQJAHWSA-N
MW344.46 g/mol
LogP3.04
Rot. Bonds7

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

(E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (PubChem CID 11951280) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
PubChem CID11951280
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
SMILESCCCCNCc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C19H28N4O2/c1-5-6-10-20-13-15-18(19(2,3)4)21-16-12-14(9-11-23(15)16)7-8-17(24)22-25/h7-9,11-12,20,25H,5-6,10,13H2,1-4H3,(H,22,24)/b8-7+
InChIKeyJBFQPMGBCKWKKO-BQYQJAHWSA-N
XLogP3.04
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide (CID 11951280) is (E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is CCCCNCc1c(C(C)(C)C)nc2cc(/C=C/C(=O)NO)ccn12.
What is the InChIKey of (E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
The InChIKey is JBFQPMGBCKWKKO-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-5-6-10-20-13-15-18(19(2,3)4)21-16-12-14(9-11-23(15)16)7-8-17(24)22-25/h7-9,11-12,20,25H,5-6,10,13H2,1-4H3,(H,22,24)/b8-7+.
What are the key properties of (E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-tert-butyl-3-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide has a molecular weight of 344.46 g/mol, XLogP of 3.04, 7 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-(butylaminomethyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11951280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).