5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide

C14H16N4O2 — CID 131912295

IUPAC5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1cnccc1NCCNC(=O)c1cncc(O)c1
InChIInChI=1S/C14H16N4O2/c1-10-7-15-3-2-13(10)17-4-5-18-14(20)11-6-12(19)9-16-8-11/h2-3,6-9,19H,4-5H2,1H3,(H,15,17)(H,18,20)
InChIKeyAGVKNNNWDNVKMD-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.33
Rot. Bonds5

About 5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide

5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 131912295) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID131912295
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide
SMILESCc1cnccc1NCCNC(=O)c1cncc(O)c1
InChIInChI=1S/C14H16N4O2/c1-10-7-15-3-2-13(10)17-4-5-18-14(20)11-6-12(19)9-16-8-11/h2-3,6-9,19H,4-5H2,1H3,(H,15,17)(H,18,20)
InChIKeyAGVKNNNWDNVKMD-UHFFFAOYSA-N
XLogP1.33
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane
CID 143571890
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide
CID 131906584
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 119074513
5-hydroxy-N-[2-(2-methylphenyl)ethyl]pyridine-3-carboxamide
CID 78953956
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
2,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,3-oxazole-5-carboxamide
CID 131920957
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide
CID 56907316
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72894497
4,4-dimethyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pentanamide
CID 119063054
2-methyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 90647553
N-(2,2-dimethylpropyl)-5-hydroxypyridine-3-carboxamide
CID 63866542

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide (CID 131912295) is 5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide is Cc1cnccc1NCCNC(=O)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is AGVKNNNWDNVKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-7-15-3-2-13(10)17-4-5-18-14(20)11-6-12(19)9-16-8-11/h2-3,6-9,19H,4-5H2,1H3,(H,15,17)(H,18,20).
What are the key properties of 5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide?
5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 131912295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).