2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide

C26H33N7O2 — CID 162511173

IUPAC2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1C(=O)NC1CCN(C(CO)c2ccccc2)C1
InChIInChI=1S/C26H33N7O2/c27-25-23(12-19(13-29-25)20-14-30-33(15-20)22-6-9-28-10-7-22)26(35)31-21-8-11-32(16-21)24(17-34)18-4-2-1-3-5-18/h1-5,12-15,21-22,24,28,34H,6-11,16-17H2,(H2,27,29)(H,31,35)
InChIKeyPERVUKQDOQQMCJ-UHFFFAOYSA-N
MW475.60 g/mol
LogP1.99
Rot. Bonds7

About 2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 162511173) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID162511173
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide
SMILESNc1ncc(-c2cnn(C3CCNCC3)c2)cc1C(=O)NC1CCN(C(CO)c2ccccc2)C1
InChIInChI=1S/C26H33N7O2/c27-25-23(12-19(13-29-25)20-14-30-33(15-20)22-6-9-28-10-7-22)26(35)31-21-8-11-32(16-21)24(17-34)18-4-2-1-3-5-18/h1-5,12-15,21-22,24,28,34H,6-11,16-17H2,(H2,27,29)(H,31,35)
InChIKeyPERVUKQDOQQMCJ-UHFFFAOYSA-N
XLogP1.99
TPSA121.33 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 51.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide (CID 162511173) is 2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide is Nc1ncc(-c2cnn(C3CCNCC3)c2)cc1C(=O)NC1CCN(C(CO)c2ccccc2)C1.
What is the InChIKey of 2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is PERVUKQDOQQMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O2/c27-25-23(12-19(13-29-25)20-14-30-33(15-20)22-6-9-28-10-7-22)26(35)31-21-8-11-32(16-21)24(17-34)18-4-2-1-3-5-18/h1-5,12-15,21-22,24,28,34H,6-11,16-17H2,(H2,27,29)(H,31,35).
What are the key properties of 2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 1.99, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2-hydroxy-1-phenylethyl)pyrrolidin-3-yl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 162511173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).