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

C22H26N4O3 — CID 73151485

IUPACN-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
SMILESCCCN(CCO)Cc1c(-c2ccccc2)nc2cc(C=CC(=O)NO)ccn12
InChIInChI=1S/C22H26N4O3/c1-2-11-25(13-14-27)16-19-22(18-6-4-3-5-7-18)23-20-15-17(10-12-26(19)20)8-9-21(28)24-29/h3-10,12,15,27,29H,2,11,13-14,16H2,1H3,(H,24,28)
InChIKeyRRVJMQQNYIECNQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.72
Rot. Bonds9

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

N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide (PubChem CID 73151485) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide.

Molecular Properties

Compound NameN-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
PubChem CID73151485
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide
SMILESCCCN(CCO)Cc1c(-c2ccccc2)nc2cc(C=CC(=O)NO)ccn12
InChIInChI=1S/C22H26N4O3/c1-2-11-25(13-14-27)16-19-22(18-6-4-3-5-7-18)23-20-15-17(10-12-26(19)20)8-9-21(28)24-29/h3-10,12,15,27,29H,2,11,13-14,16H2,1H3,(H,24,28)
InChIKeyRRVJMQQNYIECNQ-UHFFFAOYSA-N
XLogP2.72
TPSA90.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide?
The IUPAC name of N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide (CID 73151485) is N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide.
What is the SMILES notation for N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide?
The canonical SMILES for N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide is CCCN(CCO)Cc1c(-c2ccccc2)nc2cc(C=CC(=O)NO)ccn12.
What is the InChIKey of N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide?
The InChIKey is RRVJMQQNYIECNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-11-25(13-14-27)16-19-22(18-6-4-3-5-7-18)23-20-15-17(10-12-26(19)20)8-9-21(28)24-29/h3-10,12,15,27,29H,2,11,13-14,16H2,1H3,(H,24,28).
What are the key properties of N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide?
N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide has a molecular weight of 394.48 g/mol, XLogP of 2.72, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[3-[[2-hydroxyethyl(propyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-7-yl]prop-2-enamide is sourced from PubChem (CID 73151485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).