(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide

C15H15ClN2O — CID 7277749

IUPAC(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
SMILESC[C@H](CC(=O)Nc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-11(12-5-3-2-4-6-12)9-15(19)18-14-8-7-13(16)10-17-14/h2-8,10-11H,9H2,1H3,(H,17,18,19)/t11-/m1/s1
InChIKeyIAXMKUWCEICTCE-LLVKDONJSA-N
MW274.75 g/mol
LogP3.87
Rot. Bonds4

About (3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide

(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide (PubChem CID 7277749) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is (3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
PubChem CID7277749
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
SMILESC[C@H](CC(=O)Nc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C15H15ClN2O/c1-11(12-5-3-2-4-6-12)9-15(19)18-14-8-7-13(16)10-17-14/h2-8,10-11H,9H2,1H3,(H,17,18,19)/t11-/m1/s1
InChIKeyIAXMKUWCEICTCE-LLVKDONJSA-N
XLogP3.87
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (3R)-3-phenylbutanoate
CID 7227874
2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
CID 43245528
N-(5-morpholin-4-yl-2-pyridinyl)-3-phenylbutanamide
CID 134053190
1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
CID 108867612
5-chloro-N-(3-phenylbutyl)pyridin-2-amine
CID 62986989
(3S)-N-(4-chloro-2-fluorophenyl)-3-phenylbutanamide
CID 7774548
N-(5-chloro-2-methylphenyl)-3-phenylbutanamide
CID 2915392
N-(5-chloro-2-pyridinyl)-2-(2-methylphenyl)sulfanylacetamide
CID 34135048
(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide
CID 39983438
(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide
CID 39983445
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (3S)-3-acetamido-3-phenylpropanoate
CID 41044858
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821819

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide?
The IUPAC name of (3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide (CID 7277749) is (3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide?
The canonical SMILES for (3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide is C[C@H](CC(=O)Nc1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of (3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide?
The InChIKey is IAXMKUWCEICTCE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11(12-5-3-2-4-6-12)9-15(19)18-14-8-7-13(16)10-17-14/h2-8,10-11H,9H2,1H3,(H,17,18,19)/t11-/m1/s1.
What are the key properties of (3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide?
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide has a molecular weight of 274.75 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide is sourced from PubChem (CID 7277749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).