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

C25H40N6O3 — CID 73151363

IUPACN-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide
SMILESCCCCCCc1nc2cc(C=CC(=O)NO)ccn2c1NCCC(=O)NCCN(CC)CC
InChIInChI=1S/C25H40N6O3/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/h11-12,14,17,19,27,34H,4-10,13,15-16,18H2,1-3H3,(H,26,32)(H,29,33)
InChIKeyBHTOFIODDZWJNH-UHFFFAOYSA-N
MW472.63 g/mol
LogP3.24
Rot. Bonds16

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

N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide (PubChem CID 73151363) has the molecular formula C25H40N6O3 and a molecular weight of 472.63 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide
PubChem CID73151363
Molecular FormulaC25H40N6O3
Molecular Weight472.63 g/mol
Exact Mass472.32
IUPAC NameN-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide
SMILESCCCCCCc1nc2cc(C=CC(=O)NO)ccn2c1NCCC(=O)NCCN(CC)CC
InChIInChI=1S/C25H40N6O3/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/h11-12,14,17,19,27,34H,4-10,13,15-16,18H2,1-3H3,(H,26,32)(H,29,33)
InChIKeyBHTOFIODDZWJNH-UHFFFAOYSA-N
XLogP3.24
TPSA111.00 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.63
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide?
The IUPAC name of 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) is N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-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-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide is CCCCCCc1nc2cc(C=CC(=O)NO)ccn2c1NCCC(=O)NCCN(CC)CC.
What is the InChIKey of N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide?
The InChIKey is BHTOFIODDZWJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N6O3/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/h11-12,14,17,19,27,34H,4-10,13,15-16,18H2,1-3H3,(H,26,32)(H,29,33).
What are the key properties of N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide?
N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide has a molecular weight of 472.63 g/mol, XLogP of 3.24, 16 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-3-[[2-hexyl-7-[3-(hydroxyamino)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-3-yl]amino]propanamide is sourced from PubChem (CID 73151363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).