N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide

C23H28N4O3 — CID 56537785

IUPACN-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)Nc1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C23H28N4O3/c1-23(2,3)22(29)24-12-7-11-21(28)26-17-8-6-9-19(14-17)30-16-18-15-27-13-5-4-10-20(27)25-18/h4-6,8-10,13-15H,7,11-12,16H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyJYKDXJKQGVSPNS-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.79
Rot. Bonds8

About N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide

N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide (PubChem CID 56537785) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
PubChem CID56537785
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC NameN-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCC(=O)Nc1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C23H28N4O3/c1-23(2,3)22(29)24-12-7-11-21(28)26-17-8-6-9-19(14-17)30-16-18-15-27-13-5-4-10-20(27)25-18/h4-6,8-10,13-15H,7,11-12,16H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyJYKDXJKQGVSPNS-UHFFFAOYSA-N
XLogP3.79
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582393
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide
CID 56582654
4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
CID 56582359
4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582434
4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
CID 56537727
3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
CID 56530513
(E)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-phenylprop-2-enamide
CID 56530976
4-ethyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530964
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
CID 167801991
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-pentylbenzamide
CID 134009641
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide (CID 56537785) is N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCC(=O)Nc1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide?
The InChIKey is JYKDXJKQGVSPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-23(2,3)22(29)24-12-7-11-21(28)26-17-8-6-9-19(14-17)30-16-18-15-27-13-5-4-10-20(27)25-18/h4-6,8-10,13-15H,7,11-12,16H2,1-3H3,(H,24,29)(H,26,28).
What are the key properties of N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide?
N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide has a molecular weight of 408.50 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 56537785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).