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

C21H24N4O2 — CID 120636307

IUPAC(2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)CCN1
InChIInChI=1S/C21H24N4O2/c1-15-11-16(8-9-22-15)21(26)24-17-5-4-6-19(12-17)27-14-18-13-25-10-3-2-7-20(25)23-18/h2-7,10,12-13,15-16,22H,8-9,11,14H2,1H3,(H,24,26)/t15-,16-/m0/s1
InChIKeyIKHHBSQMMRHNQP-HOTGVXAUSA-N
MW364.45 g/mol
LogP3.24
Rot. Bonds5

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

(2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120636307) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is (2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120636307
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name(2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)CCN1
InChIInChI=1S/C21H24N4O2/c1-15-11-16(8-9-22-15)21(26)24-17-5-4-6-19(12-17)27-14-18-13-25-10-3-2-7-20(25)23-18/h2-7,10,12-13,15-16,22H,8-9,11,14H2,1H3,(H,24,26)/t15-,16-/m0/s1
InChIKeyIKHHBSQMMRHNQP-HOTGVXAUSA-N
XLogP3.24
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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]-1-methylsulfonylpiperidine-4-carboxamide
CID 56582273
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
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 56530985
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
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119859782
4-[ethyl(methyl)amino]-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530641
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 56537352
3-amino-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119859749
(E)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-phenylprop-2-enamide
CID 56530976
(2R)-N-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]piperidine-2-carboxamide;dihydrochloride
CID 119879271

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide (CID 120636307) is (2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)CCN1.
What is the InChIKey of (2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is IKHHBSQMMRHNQP-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-11-16(8-9-22-15)21(26)24-17-5-4-6-19(12-17)27-14-18-13-25-10-3-2-7-20(25)23-18/h2-7,10,12-13,15-16,22H,8-9,11,14H2,1H3,(H,24,26)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120636307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).