2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide

C19H25N5O2 — CID 56919065

IUPAC2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide
SMILESCN(CCc1ccccn1)[C@@H]1CCN(c2cc(C(N)=O)ccn2)C[C@H]1O
InChIInChI=1S/C19H25N5O2/c1-23(10-6-15-4-2-3-8-21-15)16-7-11-24(13-17(16)25)18-12-14(19(20)26)5-9-22-18/h2-5,8-9,12,16-17,25H,6-7,10-11,13H2,1H3,(H2,20,26)/t16-,17-/m1/s1
InChIKeyOBHIGKMUAQOPDK-IAGOWNOFSA-N
MW355.44 g/mol
LogP0.69
Rot. Bonds6

About 2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide

2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 56919065) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide
PubChem CID56919065
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide
SMILESCN(CCc1ccccn1)[C@@H]1CCN(c2cc(C(N)=O)ccn2)C[C@H]1O
InChIInChI=1S/C19H25N5O2/c1-23(10-6-15-4-2-3-8-21-15)16-7-11-24(13-17(16)25)18-12-14(19(20)26)5-9-22-18/h2-5,8-9,12,16-17,25H,6-7,10-11,13H2,1H3,(H2,20,26)/t16-,17-/m1/s1
InChIKeyOBHIGKMUAQOPDK-IAGOWNOFSA-N
XLogP0.69
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide (CID 56919065) is 2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide is CN(CCc1ccccn1)[C@@H]1CCN(c2cc(C(N)=O)ccn2)C[C@H]1O.
What is the InChIKey of 2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is OBHIGKMUAQOPDK-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-23(10-6-15-4-2-3-8-21-15)16-7-11-24(13-17(16)25)18-12-14(19(20)26)5-9-22-18/h2-5,8-9,12,16-17,25H,6-7,10-11,13H2,1H3,(H2,20,26)/t16-,17-/m1/s1.
What are the key properties of 2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide?
2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-hydroxy-4-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 56919065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).