(E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide

C18H26N4O2 — CID 11950382

IUPAC(E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide
SMILESCCCCNc1c(CCCC)nc2ccc(/C=C/C(=O)NO)cn12
InChIInChI=1S/C18H26N4O2/c1-3-5-7-15-18(19-12-6-4-2)22-13-14(8-10-16(22)20-15)9-11-17(23)21-24/h8-11,13,19,24H,3-7,12H2,1-2H3,(H,21,23)/b11-9+
InChIKeySXJKZNXSKKPHFU-PKNBQFBNSA-N
MW330.43 g/mol
LogP3.41
Rot. Bonds9

About (E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide

(E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide (PubChem CID 11950382) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide
PubChem CID11950382
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide
SMILESCCCCNc1c(CCCC)nc2ccc(/C=C/C(=O)NO)cn12
InChIInChI=1S/C18H26N4O2/c1-3-5-7-15-18(19-12-6-4-2)22-13-14(8-10-16(22)20-15)9-11-17(23)21-24/h8-11,13,19,24H,3-7,12H2,1-2H3,(H,21,23)/b11-9+
InChIKeySXJKZNXSKKPHFU-PKNBQFBNSA-N
XLogP3.41
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.41
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-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide (CID 11950382) is (E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide is CCCCNc1c(CCCC)nc2ccc(/C=C/C(=O)NO)cn12.
What is the InChIKey of (E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide?
The InChIKey is SXJKZNXSKKPHFU-PKNBQFBNSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-3-5-7-15-18(19-12-6-4-2)22-13-14(8-10-16(22)20-15)9-11-17(23)21-24/h8-11,13,19,24H,3-7,12H2,1-2H3,(H,21,23)/b11-9+.
What are the key properties of (E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide?
(E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide has a molecular weight of 330.43 g/mol, XLogP of 3.41, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-butyl-3-(butylamino)imidazo[1,2-a]pyridin-6-yl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 11950382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).