(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide

C22H22ClN3O — CID 39983445

IUPAC(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide
SMILESC[C@@H](N[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C22H22ClN3O/c1-16(22(27)26-21-13-12-19(23)15-24-21)25-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15-16,20,25H,14H2,1H3,(H,24,26,27)/t16-,20-/m1/s1
InChIKeyBKJUBXJOXMYEGH-OXQOHEQNSA-N
MW379.89 g/mol
LogP4.64
Rot. Bonds7

About (2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide

(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide (PubChem CID 39983445) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide
PubChem CID39983445
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide
SMILESC[C@@H](N[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C22H22ClN3O/c1-16(22(27)26-21-13-12-19(23)15-24-21)25-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15-16,20,25H,14H2,1H3,(H,24,26,27)/t16-,20-/m1/s1
InChIKeyBKJUBXJOXMYEGH-OXQOHEQNSA-N
XLogP4.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide with MolForge

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Related Compounds

(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide
CID 39983438
N-carbamoyl-2-[[2-(4-chlorophenyl)-1-phenylethyl]amino]propanamide
CID 47066635
2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
CID 43245528
N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 121239964
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 41044858
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (3R)-3-phenylbutanoate
CID 7227874
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821819
(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
CID 95336120
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxyanilino)propanamide
CID 25381199

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide (CID 39983445) is (2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide is C[C@@H](N[C@H](Cc1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of (2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide?
The InChIKey is BKJUBXJOXMYEGH-OXQOHEQNSA-N. The full InChI is InChI=1S/C22H22ClN3O/c1-16(22(27)26-21-13-12-19(23)15-24-21)25-20(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-13,15-16,20,25H,14H2,1H3,(H,24,26,27)/t16-,20-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide?
(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide has a molecular weight of 379.89 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide is sourced from PubChem (CID 39983445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).