N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide

C16H27N5O2 — CID 91329725

IUPACN-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide
SMILESCN(C[C@@H](O)CN1CCCCC1)C(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H27N5O2/c1-19(11-14(22)12-20-6-3-2-4-7-20)16(23)21-8-5-15-13(10-21)9-17-18-15/h9,14,22H,2-8,10-12H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyXQDSYXXLPVJGTA-CQSZACIVSA-N
MW321.43 g/mol
LogP0.67
Rot. Bonds4

About N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide

N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 91329725) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide
PubChem CID91329725
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide
SMILESCN(C[C@@H](O)CN1CCCCC1)C(=O)N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H27N5O2/c1-19(11-14(22)12-20-6-3-2-4-7-20)16(23)21-8-5-15-13(10-21)9-17-18-15/h9,14,22H,2-8,10-12H2,1H3,(H,17,18)/t14-/m1/s1
InChIKeyXQDSYXXLPVJGTA-CQSZACIVSA-N
XLogP0.67
TPSA75.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide (CID 91329725) is N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide is CN(C[C@@H](O)CN1CCCCC1)C(=O)N1CCc2[nH]ncc2C1.
What is the InChIKey of N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is XQDSYXXLPVJGTA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-19(11-14(22)12-20-6-3-2-4-7-20)16(23)21-8-5-15-13(10-21)9-17-18-15/h9,14,22H,2-8,10-12H2,1H3,(H,17,18)/t14-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide?
N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 91329725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).