N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

C21H24N4O4S — CID 56582273

IUPACN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)CC1
InChIInChI=1S/C21H24N4O4S/c1-30(27,28)25-11-8-16(9-12-25)21(26)23-17-5-4-6-19(13-17)29-15-18-14-24-10-3-2-7-20(24)22-18/h2-7,10,13-14,16H,8-9,11-12,15H2,1H3,(H,23,26)
InChIKeyNVRKKVORIDBWFR-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.52
Rot. Bonds6

About N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 56582273) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID56582273
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)CC1
InChIInChI=1S/C21H24N4O4S/c1-30(27,28)25-11-8-16(9-12-25)21(26)23-17-5-4-6-19(13-17)29-15-18-14-24-10-3-2-7-20(24)22-18/h2-7,10,13-14,16H,8-9,11-12,15H2,1H3,(H,23,26)
InChIKeyNVRKKVORIDBWFR-UHFFFAOYSA-N
XLogP2.52
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120636307
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119875040
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-methylsulfonylbenzamide
CID 56530937
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 56530985
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119875059
4-ethyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530964
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641
(E)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-phenylprop-2-enamide
CID 56530976
3,4-difluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530610
3-chloro-6-ethoxy-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]pyridine-2-carboxamide
CID 56530800
4-(diethylaminomethyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530632

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 56582273) is N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)CC1.
What is the InChIKey of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is NVRKKVORIDBWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-30(27,28)25-11-8-16(9-12-25)21(26)23-17-5-4-6-19(13-17)29-15-18-14-24-10-3-2-7-20(24)22-18/h2-7,10,13-14,16H,8-9,11-12,15H2,1H3,(H,23,26).
What are the key properties of N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 56582273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).