N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

C18H25N5O3 — CID 118794013

IUPACN-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)N[C@@H]3CCN(CC(=O)N(C)C)C[C@H]3O)cn12
InChIInChI=1S/C18H25N5O3/c1-12-5-4-6-16-19-14(9-23(12)16)18(26)20-13-7-8-22(10-15(13)24)11-17(25)21(2)3/h4-6,9,13,15,24H,7-8,10-11H2,1-3H3,(H,20,26)/t13-,15-/m1/s1
InChIKeyGROGHASUCNIJPO-UKRRQHHQSA-N
MW359.43 g/mol
LogP-0.10
Rot. Bonds4

About N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 118794013) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID118794013
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC NameN-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)N[C@@H]3CCN(CC(=O)N(C)C)C[C@H]3O)cn12
InChIInChI=1S/C18H25N5O3/c1-12-5-4-6-16-19-14(9-23(12)16)18(26)20-13-7-8-22(10-15(13)24)11-17(25)21(2)3/h4-6,9,13,15,24H,7-8,10-11H2,1-3H3,(H,20,26)/t13-,15-/m1/s1
InChIKeyGROGHASUCNIJPO-UKRRQHHQSA-N
XLogP-0.10
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 121498184
N-(1-benzylpyrrolidin-3-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 51110849
5-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 39147001
2,3-dichloro-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
CID 118784312
2-[(3R,4R)-3-hydroxy-4-[(2-methylpyrimidin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 121495640
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-fluoro-2-methylbenzamide
CID 118764058
5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 43236612
3-(difluoromethoxy)-N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]benzamide
CID 118787893
N'-[3-(dimethylamino)benzoyl]-5-methylimidazo[1,2-a]pyridine-2-carbohydrazide
CID 37348998
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-2-(1H-indol-3-yl)acetamide
CID 121499951
2-[(3R,4R)-4-(2,3-dihydro-1H-inden-2-ylamino)-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 118769079
2-[(3R,4R)-3-hydroxy-4-[(2-methylquinolin-4-yl)amino]piperidin-1-yl]-N,N-dimethylacetamide
CID 118779443

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 118794013) is N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc2nc(C(=O)N[C@@H]3CCN(CC(=O)N(C)C)C[C@H]3O)cn12.
What is the InChIKey of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is GROGHASUCNIJPO-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-12-5-4-6-16-19-14(9-23(12)16)18(26)20-13-7-8-22(10-15(13)24)11-17(25)21(2)3/h4-6,9,13,15,24H,7-8,10-11H2,1-3H3,(H,20,26)/t13-,15-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[2-(dimethylamino)-2-oxoethyl]-3-hydroxypiperidin-4-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 118794013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).