N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide

C24H25N5O — CID 10092344

IUPACN-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide
SMILESCC(=O)N(C[C@@H](N)Cc1ccccc1)c1cncc(-c2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C24H25N5O/c1-16-23-12-19(8-9-24(23)28-27-16)20-11-22(14-26-13-20)29(17(2)30)15-21(25)10-18-6-4-3-5-7-18/h3-9,11-14,21H,10,15,25H2,1-2H3,(H,27,28)/t21-/m0/s1
InChIKeyLRYRUGZOWKELLQ-NRFANRHFSA-N
MW399.50 g/mol
LogP3.86
Rot. Bonds6

About N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide

N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide (PubChem CID 10092344) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide
PubChem CID10092344
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide
SMILESCC(=O)N(C[C@@H](N)Cc1ccccc1)c1cncc(-c2ccc3n[nH]c(C)c3c2)c1
InChIInChI=1S/C24H25N5O/c1-16-23-12-19(8-9-24(23)28-27-16)20-11-22(14-26-13-20)29(17(2)30)15-21(25)10-18-6-4-3-5-7-18/h3-9,11-14,21H,10,15,25H2,1-2H3,(H,27,28)/t21-/m0/s1
InChIKeyLRYRUGZOWKELLQ-NRFANRHFSA-N
XLogP3.86
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide (CID 10092344) is N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide is CC(=O)N(C[C@@H](N)Cc1ccccc1)c1cncc(-c2ccc3n[nH]c(C)c3c2)c1.
What is the InChIKey of N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide?
The InChIKey is LRYRUGZOWKELLQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25N5O/c1-16-23-12-19(8-9-24(23)28-27-16)20-11-22(14-26-13-20)29(17(2)30)15-21(25)10-18-6-4-3-5-7-18/h3-9,11-14,21H,10,15,25H2,1-2H3,(H,27,28)/t21-/m0/s1.
What are the key properties of N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide?
N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide has a molecular weight of 399.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-3-phenylpropyl]-N-[5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 10092344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).