N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide

C23H24N4O2 — CID 167466536

IUPACN-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)N(C)C[C@@H](O)Cc2ccccc2)cc1C#Cc1cnn(C)c1
InChIInChI=1S/C23H24N4O2/c1-17-20(10-9-19-13-25-27(3)15-19)12-21(14-24-17)23(29)26(2)16-22(28)11-18-7-5-4-6-8-18/h4-8,12-15,22,28H,11,16H2,1-3H3/t22-/m0/s1
InChIKeyQUUSWLWVPGJSGQ-QFIPXVFZSA-N
MW388.47 g/mol
LogP2.20
Rot. Bonds5

About N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide

N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide (PubChem CID 167466536) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide
PubChem CID167466536
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)N(C)C[C@@H](O)Cc2ccccc2)cc1C#Cc1cnn(C)c1
InChIInChI=1S/C23H24N4O2/c1-17-20(10-9-19-13-25-27(3)15-19)12-21(14-24-17)23(29)26(2)16-22(28)11-18-7-5-4-6-8-18/h4-8,12-15,22,28H,11,16H2,1-3H3/t22-/m0/s1
InChIKeyQUUSWLWVPGJSGQ-QFIPXVFZSA-N
XLogP2.20
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide (CID 167466536) is N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide is Cc1ncc(C(=O)N(C)C[C@@H](O)Cc2ccccc2)cc1C#Cc1cnn(C)c1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide?
The InChIKey is QUUSWLWVPGJSGQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-17-20(10-9-19-13-25-27(3)15-19)12-21(14-24-17)23(29)26(2)16-22(28)11-18-7-5-4-6-8-18/h4-8,12-15,22,28H,11,16H2,1-3H3/t22-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide?
N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-phenylpropyl]-N,6-dimethyl-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-3-carboxamide is sourced from PubChem (CID 167466536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).