(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide

C15H20ClN5O — CID 95336120

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
SMILESC[C@H](N[C@H](C)[C@H](C)n1cccn1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H20ClN5O/c1-10(12(3)21-8-4-7-18-21)19-11(2)15(22)20-14-6-5-13(16)9-17-14/h4-12,19H,1-3H3,(H,17,20,22)/t10-,11+,12+/m1/s1
InChIKeyAAXZGTQOXUBXAH-WOPDTQHZSA-N
MW321.81 g/mol
LogP2.50
Rot. Bonds6

About (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide (PubChem CID 95336120) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
PubChem CID95336120
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
SMILESC[C@H](N[C@H](C)[C@H](C)n1cccn1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C15H20ClN5O/c1-10(12(3)21-8-4-7-18-21)19-11(2)15(22)20-14-6-5-13(16)9-17-14/h4-12,19H,1-3H3,(H,17,20,22)/t10-,11+,12+/m1/s1
InChIKeyAAXZGTQOXUBXAH-WOPDTQHZSA-N
XLogP2.50
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide (CID 95336120) is (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide is C[C@H](N[C@H](C)[C@H](C)n1cccn1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
The InChIKey is AAXZGTQOXUBXAH-WOPDTQHZSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-10(12(3)21-8-4-7-18-21)19-11(2)15(22)20-14-6-5-13(16)9-17-14/h4-12,19H,1-3H3,(H,17,20,22)/t10-,11+,12+/m1/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide has a molecular weight of 321.81 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide is sourced from PubChem (CID 95336120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).