N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C21H23N3O3 — CID 71893064

IUPACN-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(COCC2CCCCO2)c1)c1cn2ccccc2n1
InChIInChI=1S/C21H23N3O3/c25-21(19-13-24-10-3-1-9-20(24)23-19)22-17-7-5-6-16(12-17)14-26-15-18-8-2-4-11-27-18/h1,3,5-7,9-10,12-13,18H,2,4,8,11,14-15H2,(H,22,25)
InChIKeyKSXISNAZEBLQAY-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.67
Rot. Bonds6

About N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide

N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 71893064) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID71893064
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(COCC2CCCCO2)c1)c1cn2ccccc2n1
InChIInChI=1S/C21H23N3O3/c25-21(19-13-24-10-3-1-9-20(24)23-19)22-17-7-5-6-16(12-17)14-26-15-18-8-2-4-11-27-18/h1,3,5-7,9-10,12-13,18H,2,4,8,11,14-15H2,(H,22,25)
InChIKeyKSXISNAZEBLQAY-UHFFFAOYSA-N
XLogP3.67
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]-1,2-oxazole-3-carboxamide
CID 97011567
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 71935210
N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94647683
N-methyl-N'-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxamide
CID 96562652
(2S)-N-[3-[[(2R)-oxan-2-yl]methoxymethyl]phenyl]oxolane-2-carboxamide
CID 94111035
4-acetyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 47066120
1-[3-(oxan-2-ylmethoxymethyl)phenyl]-3-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55820466
N-[3-(oxan-2-ylmethoxymethyl)phenyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55932193
2-[(4-methoxybenzoyl)amino]-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 55932192
N-[[(2S)-oxolan-2-yl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94184886
2,4-difluoro-6-hydroxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 71883387
2,6-dimethyl-N-[3-(oxan-2-ylmethoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118883

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 71893064) is N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(Nc1cccc(COCC2CCCCO2)c1)c1cn2ccccc2n1.
What is the InChIKey of N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is KSXISNAZEBLQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c25-21(19-13-24-10-3-1-9-20(24)23-19)22-17-7-5-6-16(12-17)14-26-15-18-8-2-4-11-27-18/h1,3,5-7,9-10,12-13,18H,2,4,8,11,14-15H2,(H,22,25).
What are the key properties of N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxan-2-ylmethoxymethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 71893064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).