(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide

C20H23N5O — CID 119998833

IUPAC(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)c1cccnc1
InChIInChI=1S/C20H23N5O/c1-15(17-8-5-9-22-11-17)24-20(26)19(21)10-18-13-25(14-23-18)12-16-6-3-2-4-7-16/h2-9,11,13-15,19H,10,12,21H2,1H3,(H,24,26)/t15?,19-/m0/s1
InChIKeyJPUHZBXANJHRSR-FUBQLUNQSA-N
MW349.44 g/mol
LogP2.07
Rot. Bonds7

About (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide (PubChem CID 119998833) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
PubChem CID119998833
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
SMILESCC(NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)c1cccnc1
InChIInChI=1S/C20H23N5O/c1-15(17-8-5-9-22-11-17)24-20(26)19(21)10-18-13-25(14-23-18)12-16-6-3-2-4-7-16/h2-9,11,13-15,19H,10,12,21H2,1H3,(H,24,26)/t15?,19-/m0/s1
InChIKeyJPUHZBXANJHRSR-FUBQLUNQSA-N
XLogP2.07
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]propanamide;dihydrochloride
CID 119814605
(2S)-2-amino-4-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 104984672
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]ethylamino]ethyl]-3-(1-benzylimidazol-4-yl)propanamide
CID 11827812
2-[[(2S)-2-amino-3-(1-benzylimidazol-4-yl)propanoyl]amino]-2-methylpropanoic acid
CID 178096968
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(3-phenoxypropyl)propanamide
CID 119694927
2-amino-3-(4-hydroxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 104905410
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-prop-2-enylpropanamide
CID 119672782
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]propanamide;dihydrochloride
CID 119728584
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2,2-dimethyl-3-phenylpropyl)propanamide;dihydrochloride
CID 119794372
2-amino-3-(1-benzylimidazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide
CID 69137777
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(2-cyclohexylethyl)propanamide;dihydrochloride
CID 119725748
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[2-(4-methylphenyl)sulfanylethyl]propanamide
CID 119691524

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide?
The IUPAC name of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide (CID 119998833) is (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide?
The canonical SMILES for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide is CC(NC(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1)c1cccnc1.
What is the InChIKey of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide?
The InChIKey is JPUHZBXANJHRSR-FUBQLUNQSA-N. The full InChI is InChI=1S/C20H23N5O/c1-15(17-8-5-9-22-11-17)24-20(26)19(21)10-18-13-25(14-23-18)12-16-6-3-2-4-7-16/h2-9,11,13-15,19H,10,12,21H2,1H3,(H,24,26)/t15?,19-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide?
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide has a molecular weight of 349.44 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide is sourced from PubChem (CID 119998833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).