(E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide

C21H24N4O2 — CID 11951106

IUPAC(E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
SMILESCCCN(C)Cc1c(-c2ccccc2)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C21H24N4O2/c1-3-12-24(2)15-18-21(17-7-5-4-6-8-17)22-19-14-16(11-13-25(18)19)9-10-20(26)23-27/h4-11,13-14,27H,3,12,15H2,1-2H3,(H,23,26)/b10-9+
InChIKeyVMKKLZMQIHRVAM-MDZDMXLPSA-N
MW364.45 g/mol
LogP3.36
Rot. Bonds7

About (E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide

(E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide (PubChem CID 11951106) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
PubChem CID11951106
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
SMILESCCCN(C)Cc1c(-c2ccccc2)nc2cc(/C=C/C(=O)NO)ccn12
InChIInChI=1S/C21H24N4O2/c1-3-12-24(2)15-18-21(17-7-5-4-6-8-17)22-19-14-16(11-13-25(18)19)9-10-20(26)23-27/h4-11,13-14,27H,3,12,15H2,1-2H3,(H,23,26)/b10-9+
InChIKeyVMKKLZMQIHRVAM-MDZDMXLPSA-N
XLogP3.36
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
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)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide (CID 11951106) is (E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide is CCCN(C)Cc1c(-c2ccccc2)nc2cc(/C=C/C(=O)NO)ccn12.
What is the InChIKey of (E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide?
The InChIKey is VMKKLZMQIHRVAM-MDZDMXLPSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-3-12-24(2)15-18-21(17-7-5-4-6-8-17)22-19-14-16(11-13-25(18)19)9-10-20(26)23-27/h4-11,13-14,27H,3,12,15H2,1-2H3,(H,23,26)/b10-9+.
What are the key properties of (E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide has a molecular weight of 364.45 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[[methyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide is sourced from PubChem (CID 11951106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).