N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide

C25H42N6O3 — CID 143296704

IUPACN-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide
SMILESCCCCCCc1nc2cc(/C=C/C(O)NO)ccn2c1NCCC(=O)NCCN(CC)CC
InChIInChI=1S/C25H42N6O3/c1-4-7-8-9-10-21-25(27-15-13-23(32)26-16-18-30(5-2)6-3)31-17-14-20(19-22(31)28-21)11-12-24(33)29-34/h11-12,14,17,19,24,27,29,33-34H,4-10,13,15-16,18H2,1-3H3,(H,26,32)/b12-11+
InChIKeyXAWYDIPLVWOXPY-VAWYXSNFSA-N
MW474.65 g/mol
LogP3.03
Rot. Bonds17

About N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide

N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide (PubChem CID 143296704) has the molecular formula C25H42N6O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide
PubChem CID143296704
Molecular FormulaC25H42N6O3
Molecular Weight474.65 g/mol
Exact Mass474.33
IUPAC NameN-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide
SMILESCCCCCCc1nc2cc(/C=C/C(O)NO)ccn2c1NCCC(=O)NCCN(CC)CC
InChIInChI=1S/C25H42N6O3/c1-4-7-8-9-10-21-25(27-15-13-23(32)26-16-18-30(5-2)6-3)31-17-14-20(19-22(31)28-21)11-12-24(33)29-34/h11-12,14,17,19,24,27,29,33-34H,4-10,13,15-16,18H2,1-3H3,(H,26,32)/b12-11+
InChIKeyXAWYDIPLVWOXPY-VAWYXSNFSA-N
XLogP3.03
TPSA114.16 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 53.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide
CID 73151363
3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-(2-methoxyethyl)propanamide
CID 146753571
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[[2-hexyl-7-[(E)-4-hydroxy-3-oxobut-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide
CID 149410441
3-[[2-hexyl-7-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]-N-[(1R)-1-hydroxyiodanuidyl-2-methylpropyl]propanamide
CID 146890251
(E)-3-[3-[[3,3-dimethylbutyl(ethyl)amino]methyl]-2-pentylimidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 25053940
3-[2-butyl-3-[[ethyl(2-methylpentyl)amino]methyl]imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74422918
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N-[2-(dibutylamino)ethyl]dodecanamide
CID 23372327
3-[3-[[ethyl(3-methylbutyl)amino]methyl]-2-(2-methylpropyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 74421942
N-[2-[2-(heptanoylamino)ethyl-[2-(propanoylamino)ethyl]amino]ethyl]heptanamide
CID 90956908
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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide (CID 143296704) is N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide is CCCCCCc1nc2cc(/C=C/C(O)NO)ccn2c1NCCC(=O)NCCN(CC)CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide?
The InChIKey is XAWYDIPLVWOXPY-VAWYXSNFSA-N. The full InChI is InChI=1S/C25H42N6O3/c1-4-7-8-9-10-21-25(27-15-13-23(32)26-16-18-30(5-2)6-3)31-17-14-20(19-22(31)28-21)11-12-24(33)29-34/h11-12,14,17,19,24,27,29,33-34H,4-10,13,15-16,18H2,1-3H3,(H,26,32)/b12-11+.
What are the key properties of N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide?
N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide has a molecular weight of 474.65 g/mol, XLogP of 3.03, 17 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[(E)-3-hydroxy-3-(hydroxyamino)prop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide is sourced from PubChem (CID 143296704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).