(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide

C16H23N5O — CID 46987995

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)CN(Cc1ccccn1)C(=O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C16H23N5O/c1-12(2)9-21(10-13-5-3-4-6-19-13)16(22)15(17)7-14-8-18-11-20-14/h3-6,8,11-12,15H,7,9-10,17H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyTVBRFLOPNBASBD-HNNXBMFYSA-N
MW301.39 g/mol
LogP1.36
Rot. Bonds7

About (2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide

(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 46987995) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide
PubChem CID46987995
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide
SMILESCC(C)CN(Cc1ccccn1)C(=O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C16H23N5O/c1-12(2)9-21(10-13-5-3-4-6-19-13)16(22)15(17)7-14-8-18-11-20-14/h3-6,8,11-12,15H,7,9-10,17H2,1-2H3,(H,18,20)/t15-/m0/s1
InChIKeyTVBRFLOPNBASBD-HNNXBMFYSA-N
XLogP1.36
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-ethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119885181
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-aminopropanoic acid
CID 18657563
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;2-amino-3-phenylpropanoic acid
CID 175083689
(2R)-2-amino-N,N-dimethyl-3-pyridin-2-ylpropanamide
CID 73439082
(2S)-2-amino-N-(2-aminophenyl)-N-benzyl-3-(1H-imidazol-5-yl)propanamide
CID 67902448
bis((2S)-2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)
CID 68767985
3-amino-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 45260587
bis(2-amino-3-(1H-imidazol-5-yl)propanoate);manganese(2+)
CID 3047336
3-amino-4-(1H-imidazol-5-yl)butan-2-one;ethane
CID 177242295
potassium (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 70188416
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide (CID 46987995) is (2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide is CC(C)CN(Cc1ccccn1)C(=O)[C@@H](N)Cc1cnc[nH]1.
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is TVBRFLOPNBASBD-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-12(2)9-21(10-13-5-3-4-6-19-13)16(22)15(17)7-14-8-18-11-20-14/h3-6,8,11-12,15H,7,9-10,17H2,1-2H3,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide?
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 46987995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).