N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

C23H28N4O2 — CID 32832494

IUPACN-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C23H28N4O2/c1-16(2)14-20(26-22(28)19-9-5-4-8-17(19)3)23(29)24-12-11-18-15-27-13-7-6-10-21(27)25-18/h4-10,13,15-16,20H,11-12,14H2,1-3H3,(H,24,29)(H,26,28)/t20-/m1/s1
InChIKeyWWCFULNSTUMPQJ-HXUWFJFHSA-N
MW392.50 g/mol
LogP3.15
Rot. Bonds8

About N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide

N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (PubChem CID 32832494) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
PubChem CID32832494
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C23H28N4O2/c1-16(2)14-20(26-22(28)19-9-5-4-8-17(19)3)23(29)24-12-11-18-15-27-13-7-6-10-21(27)25-18/h4-10,13,15-16,20H,11-12,14H2,1-3H3,(H,24,29)(H,26,28)/t20-/m1/s1
InChIKeyWWCFULNSTUMPQJ-HXUWFJFHSA-N
XLogP3.15
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The IUPAC name of N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide (CID 32832494) is N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide.
What is the SMILES notation for N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The canonical SMILES for N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCc1cn2ccccc2n1.
What is the InChIKey of N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
The InChIKey is WWCFULNSTUMPQJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-16(2)14-20(26-22(28)19-9-5-4-8-17(19)3)23(29)24-12-11-18-15-27-13-7-6-10-21(27)25-18/h4-10,13,15-16,20H,11-12,14H2,1-3H3,(H,24,29)(H,26,28)/t20-/m1/s1.
What are the key properties of N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide?
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide has a molecular weight of 392.50 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 32832494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).