(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide

C16H23N5O — CID 119848280

IUPAC(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide
SMILESCc1nccn1-c1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cn1
InChIInChI=1S/C16H23N5O/c1-11-18-7-8-21(11)13-6-5-12(9-19-13)10-20-15(22)14(17)16(2,3)4/h5-9,14H,10,17H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyDZPMHKVKNPMGIU-CQSZACIVSA-N
MW301.39 g/mol
LogP1.57
Rot. Bonds4

About (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide (PubChem CID 119848280) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide
PubChem CID119848280
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide
SMILESCc1nccn1-c1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cn1
InChIInChI=1S/C16H23N5O/c1-11-18-7-8-21(11)13-6-5-12(9-19-13)10-20-15(22)14(17)16(2,3)4/h5-9,14H,10,17H2,1-4H3,(H,20,22)/t14-/m1/s1
InChIKeyDZPMHKVKNPMGIU-CQSZACIVSA-N
XLogP1.57
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide with MolForge

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Related Compounds

N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 47353927
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-2-(2-methylphenyl)acetamide
CID 87023045
1-amino-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119848271
1-tert-butyl-2-methyl-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 110964469
5-[[(2-amino-3,3-dimethylbutanoyl)amino]methyl]pyridine-2-carboxylic acid
CID 112555795
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 86821194
(2S)-2-amino-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119846441
1-(2,2-dimethylpropanoyl)-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 87023017
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-methylsulfinylbenzamide
CID 71888425
N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-[(R)-methylsulfinyl]benzamide
CID 97009313
2-methyl-1-(3-methylbutan-2-yl)-3-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111000550
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide (CID 119848280) is (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide is Cc1nccn1-c1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cn1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide?
The InChIKey is DZPMHKVKNPMGIU-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N5O/c1-11-18-7-8-21(11)13-6-5-12(9-19-13)10-20-15(22)14(17)16(2,3)4/h5-9,14H,10,17H2,1-4H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide has a molecular weight of 301.39 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 119848280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).