N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

C21H30N4O2 — CID 31008557

IUPACN-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C21H30N4O2/c1-15(2)19(24-20(26)16-8-4-3-5-9-16)21(27)22-12-11-17-14-25-13-7-6-10-18(25)23-17/h6-7,10,13-16,19H,3-5,8-9,11-12H2,1-2H3,(H,22,27)(H,24,26)/t19-/m1/s1
InChIKeyBVURHZBMPZKHKU-LJQANCHMSA-N
MW370.50 g/mol
LogP2.71
Rot. Bonds7

About N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide

N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (PubChem CID 31008557) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
PubChem CID31008557
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
SMILESCC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C21H30N4O2/c1-15(2)19(24-20(26)16-8-4-3-5-9-16)21(27)22-12-11-17-14-25-13-7-6-10-18(25)23-17/h6-7,10,13-16,19H,3-5,8-9,11-12H2,1-2H3,(H,22,27)(H,24,26)/t19-/m1/s1
InChIKeyBVURHZBMPZKHKU-LJQANCHMSA-N
XLogP2.71
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55518882
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CID 25350163
1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)thiourea
CID 71899681
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CID 131947453
trans-methyl (1S,2S)-2-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylate
CID 97340572
5-(2-imidazo[1,2-a]pyridin-2-ylethylcarbamoyl)-1-methylpiperidine-2-carboxylic acid
CID 167894308
(9S)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125160032
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 122567936
(2R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
CID 125444630
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)morpholine-2-carboxamide;dihydrochloride
CID 119840691
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(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide (CID 31008557) is N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NCCc1cn2ccccc2n1.
What is the InChIKey of N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
The InChIKey is BVURHZBMPZKHKU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15(2)19(24-20(26)16-8-4-3-5-9-16)21(27)22-12-11-17-14-25-13-7-6-10-18(25)23-17/h6-7,10,13-16,19H,3-5,8-9,11-12H2,1-2H3,(H,22,27)(H,24,26)/t19-/m1/s1.
What are the key properties of N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide?
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.71, 7 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)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 31008557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).