2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide

C20H26N4O2 — CID 134542231

IUPAC2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide
SMILESC[C@H](N)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccn1)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-14(21)18(25)24-20(2,3)19(26)23-17(15-9-5-4-6-10-15)13-16-11-7-8-12-22-16/h4-12,14,17H,13,21H2,1-3H3,(H,23,26)(H,24,25)/t14-,17-/m0/s1
InChIKeyPYQALCBFBPYRDN-YOEHRIQHSA-N
MW354.45 g/mol
LogP1.72
Rot. Bonds7

About 2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide

2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide (PubChem CID 134542231) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide.

Molecular Properties

Compound Name2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide
PubChem CID134542231
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide
SMILESC[C@H](N)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccn1)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-14(21)18(25)24-20(2,3)19(26)23-17(15-9-5-4-6-10-15)13-16-11-7-8-12-22-16/h4-12,14,17H,13,21H2,1-3H3,(H,23,26)(H,24,25)/t14-,17-/m0/s1
InChIKeyPYQALCBFBPYRDN-YOEHRIQHSA-N
XLogP1.72
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide with MolForge

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Related Compounds

(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
(2S)-2-(methylamino)-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide
CID 134541575
3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide
CID 134542197
(2S)-2-amino-4-methyl-1-[(2S)-2-[1-[[(1S)-1-phenyl-2-pyridin-2-ylethyl]amino]ethenyl]pyrrolidin-1-yl]pentan-1-one
CID 166762831
2,2,2-trifluoro-N-[2-[methyl-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]amino]-2-oxoethyl]acetamide
CID 134541251
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
[(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea
CID 99792892
1-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]cyclopropane-1-carboxamide
CID 134541309
(1S)-N-ethyl-1-phenyl-2-pyridin-2-ylethanamine
CID 129365604
1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 134541281
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
CID 129358685
1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 124872713

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide?
The IUPAC name of 2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide (CID 134542231) is 2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide.
What is the SMILES notation for 2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide?
The canonical SMILES for 2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide is C[C@H](N)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccccn1)c1ccccc1.
What is the InChIKey of 2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide?
The InChIKey is PYQALCBFBPYRDN-YOEHRIQHSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(21)18(25)24-20(2,3)19(26)23-17(15-9-5-4-6-10-15)13-16-11-7-8-12-22-16/h4-12,14,17H,13,21H2,1-3H3,(H,23,26)(H,24,25)/t14-,17-/m0/s1.
What are the key properties of 2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide?
2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminopropanoyl]amino]-2-methyl-N-[(1S)-1-phenyl-2-pyridin-2-ylethyl]propanamide is sourced from PubChem (CID 134542231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).