(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide

C15H20ClN5O — CID 95319263

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide
SMILESCc1cnn(C[C@@H](C)N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C15H20ClN5O/c1-10-6-18-21(8-10)9-11(2)19-12(3)15(22)20-14-5-4-13(16)7-17-14/h4-8,11-12,19H,9H2,1-3H3,(H,17,20,22)/t11-,12+/m1/s1
InChIKeyALKHNDVVYVLVJC-NEPJUHHUSA-N
MW321.81 g/mol
LogP2.25
Rot. Bonds6

About (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide (PubChem CID 95319263) 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)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide
PubChem CID95319263
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide
SMILESCc1cnn(C[C@@H](C)N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C15H20ClN5O/c1-10-6-18-21(8-10)9-11(2)19-12(3)15(22)20-14-5-4-13(16)7-17-14/h4-8,11-12,19H,9H2,1-3H3,(H,17,20,22)/t11-,12+/m1/s1
InChIKeyALKHNDVVYVLVJC-NEPJUHHUSA-N
XLogP2.25
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 ≤ 52.25
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)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide (CID 95319263) is (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide is Cc1cnn(C[C@@H](C)N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide?
The InChIKey is ALKHNDVVYVLVJC-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-10-6-18-21(8-10)9-11(2)19-12(3)15(22)20-14-5-4-13(16)7-17-14/h4-8,11-12,19H,9H2,1-3H3,(H,17,20,22)/t11-,12+/m1/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-[[(2R)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide has a molecular weight of 321.81 g/mol, XLogP of 2.25, 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)-1-(4-methylpyrazol-1-yl)propan-2-yl]amino]propanamide is sourced from PubChem (CID 95319263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).