3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

C16H17N3O2 — CID 62490450

IUPAC3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ncccc1O
InChIInChI=1S/C16H17N3O2/c20-14-4-3-9-17-15(14)16(21)18-12-5-7-13(8-6-12)19-10-1-2-11-19/h3-9,20H,1-2,10-11H2,(H,18,21)
InChIKeyVBBWIZMYNWXPNI-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.64
Rot. Bonds3

About 3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide

3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (PubChem CID 62490450) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
PubChem CID62490450
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ncccc1O
InChIInChI=1S/C16H17N3O2/c20-14-4-3-9-17-15(14)16(21)18-12-5-7-13(8-6-12)19-10-1-2-11-19/h3-9,20H,1-2,10-11H2,(H,18,21)
InChIKeyVBBWIZMYNWXPNI-UHFFFAOYSA-N
XLogP2.64
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 107518403
3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 51105836
3-amino-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 42393792
2-(methylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 84575067
N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 110862074
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
2-(dimethylamino)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110299290
N-[4-(azepan-1-yl)phenyl]-4-(3-chloro-2-pyridinyl)benzamide
CID 11153979
3-methyl-N-(4-pyrrolidin-1-ylphenyl)quinoxaline-2-carboxamide
CID 110862119
5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-oxazole-4-carboxamide
CID 110689293
5-phenyl-N-(4-pyrrolidin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 110650765
N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
CID 110701458

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide (CID 62490450) is 3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1ncccc1O.
What is the InChIKey of 3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
The InChIKey is VBBWIZMYNWXPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-14-4-3-9-17-15(14)16(21)18-12-5-7-13(8-6-12)19-10-1-2-11-19/h3-9,20H,1-2,10-11H2,(H,18,21).
What are the key properties of 3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide?
3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62490450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).