N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide

C20H19ClN4O4 — CID 9439811

IUPACN'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1OC
InChIInChI=1S/C20H19ClN4O4/c1-3-29-15-9-7-13(12-16(15)28-2)20(27)24-23-18(26)10-8-14-19(21)22-17-6-4-5-11-25(14)17/h4-12H,3H2,1-2H3,(H,23,26)(H,24,27)/b10-8+
InChIKeyLLHCYNSIAMCQMX-CSKARUKUSA-N
MW414.85 g/mol
LogP2.87
Rot. Bonds6

About N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide

N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide (PubChem CID 9439811) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide
PubChem CID9439811
Molecular FormulaC20H19ClN4O4
Molecular Weight414.85 g/mol
Exact Mass414.11
IUPAC NameN'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1OC
InChIInChI=1S/C20H19ClN4O4/c1-3-29-15-9-7-13(12-16(15)28-2)20(27)24-23-18(26)10-8-14-19(21)22-17-6-4-5-11-25(14)17/h4-12H,3H2,1-2H3,(H,23,26)(H,24,27)/b10-8+
InChIKeyLLHCYNSIAMCQMX-CSKARUKUSA-N
XLogP2.87
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.85
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-ethoxy-4-hydroxybenzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 135495638
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446
3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 1084380
3,4,5-trimethoxy-N-(4-(8-methylimidazo(1,2-a)pyridin-2-yl)phenyl)benzamide
CID 983464
(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
CID 2533606
3,4-dimethoxy-N-({8-methylimidazo[1,2-a]pyridin-2-yl}methyl)benzamide
CID 3547707
3,4,5-trimethoxy-N-[(8-methyl-2-imidazo[1,2-a]pyridinyl)methyl]benzamide
CID 4442363
6-chloro-N'-[(1E)-(2,3-dimethoxyphenyl)methylene]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 9631004
3-[8-acetamido-3-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 46943947
(E)-1-(3,2-a]pyridin-3-yl)prop-2-en-1-one
CID 54599698
2-[3-[4-[3-(Tert-butylamino)-6-chloroimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]isoindole-1,3-dione
CID 145965555
2-[3-[4-[6-Chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenoxy]propyl]isoindole-1,3-dione
CID 145976222

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide?
The IUPAC name of N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide (CID 9439811) is N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide?
The canonical SMILES for N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide is CCOc1ccc(C(=O)NNC(=O)/C=C/c2c(Cl)nc3ccccn23)cc1OC.
What is the InChIKey of N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide?
The InChIKey is LLHCYNSIAMCQMX-CSKARUKUSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c1-3-29-15-9-7-13(12-16(15)28-2)20(27)24-23-18(26)10-8-14-19(21)22-17-6-4-5-11-25(14)17/h4-12H,3H2,1-2H3,(H,23,26)(H,24,27)/b10-8+.
What are the key properties of N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide?
N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide has a molecular weight of 414.85 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)prop-2-enoyl]-4-ethoxy-3-methoxybenzohydrazide is sourced from PubChem (CID 9439811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).