N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide

C20H25N3O2 — CID 75390609

IUPACN-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
SMILESO=C(C1CCn2ccnc2C1)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C20H25N3O2/c24-20(17-8-10-22-11-9-21-19(22)13-17)23(15-18-7-4-12-25-18)14-16-5-2-1-3-6-16/h1-3,5-6,9,11,17-18H,4,7-8,10,12-15H2
InChIKeyLPRMTGLXXIDXQN-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.65
Rot. Bonds5

About N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide

N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 75390609) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
PubChem CID75390609
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
SMILESO=C(C1CCn2ccnc2C1)N(Cc1ccccc1)CC1CCCO1
InChIInChI=1S/C20H25N3O2/c24-20(17-8-10-22-11-9-21-19(22)13-17)23(15-18-7-4-12-25-18)14-16-5-2-1-3-6-16/h1-3,5-6,9,11,17-18H,4,7-8,10,12-15H2
InChIKeyLPRMTGLXXIDXQN-UHFFFAOYSA-N
XLogP2.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
(3R)-N-benzyl-1-methyl-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 94641042
(6R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 124507400
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 56583198
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 75470259
(7S)-N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97329891
[(2S)-oxolan-2-yl]methyl-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66997327
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
(1R,2S,4R)-N-benzyl-N-[[(2S)-oxolan-2-yl]methyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 98790853
1-benzyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94503654

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide (CID 75390609) is N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide is O=C(C1CCn2ccnc2C1)N(Cc1ccccc1)CC1CCCO1.
What is the InChIKey of N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is LPRMTGLXXIDXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(17-8-10-22-11-9-21-19(22)13-17)23(15-18-7-4-12-25-18)14-16-5-2-1-3-6-16/h1-3,5-6,9,11,17-18H,4,7-8,10,12-15H2.
What are the key properties of N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide?
N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 75390609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).