N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide

C25H24N4O3 — CID 56582654

IUPACN-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)Nc1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C25H24N4O3/c1-18-7-2-3-10-22(18)25(31)26-13-12-24(30)28-19-8-6-9-21(15-19)32-17-20-16-29-14-5-4-11-23(29)27-20/h2-11,14-16H,12-13,17H2,1H3,(H,26,31)(H,28,30)
InChIKeyVKGUTMJRBABKMV-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.98
Rot. Bonds8

About N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide

N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 56582654) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide
PubChem CID56582654
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)Nc1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C25H24N4O3/c1-18-7-2-3-10-22(18)25(31)26-13-12-24(30)28-19-8-6-9-21(15-19)32-17-20-16-29-14-5-4-11-23(29)27-20/h2-11,14-16H,12-13,17H2,1H3,(H,26,31)(H,28,30)
InChIKeyVKGUTMJRBABKMV-UHFFFAOYSA-N
XLogP3.98
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582393
4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582434
4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
CID 56582359
N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 56537785
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813
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
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 56530573
2-(2-ethoxyethoxy)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56582400
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]-2,4-dimethoxybenzamide
CID 56530511

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide (CID 56582654) is N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)Nc1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is VKGUTMJRBABKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-18-7-2-3-10-22(18)25(31)26-13-12-24(30)28-19-8-6-9-21(15-19)32-17-20-16-29-14-5-4-11-23(29)27-20/h2-11,14-16H,12-13,17H2,1H3,(H,26,31)(H,28,30).
What are the key properties of N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 428.49 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 56582654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).