N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C15H21N5O2 — CID 118795747

IUPACN-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NCC1CCCN(CCO)C1)c1cccn2cnnc12
InChIInChI=1S/C15H21N5O2/c21-8-7-19-5-1-3-12(10-19)9-16-15(22)13-4-2-6-20-11-17-18-14(13)20/h2,4,6,11-12,21H,1,3,5,7-10H2,(H,16,22)
InChIKeyZNHYSQKUUFNWJJ-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.16
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 118795747) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID118795747
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESO=C(NCC1CCCN(CCO)C1)c1cccn2cnnc12
InChIInChI=1S/C15H21N5O2/c21-8-7-19-5-1-3-12(10-19)9-16-15(22)13-4-2-6-20-11-17-18-14(13)20/h2,4,6,11-12,21H,1,3,5,7-10H2,(H,16,22)
InChIKeyZNHYSQKUUFNWJJ-UHFFFAOYSA-N
XLogP0.16
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide with MolForge

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Related Compounds

N-[[(3S)-1-[2-(3-methyl-1,2,4-triazol-4-yl)ethyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 97282563
N-[[4-(cyclopentylmethoxy)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 146264092
1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
CID 97456895
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
1-ethyl-N-[(1-propylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 56706392
N-[2-[(2R)-1-(2-methylpropyl)piperidin-2-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 125156899
N-[[(3R)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 25458195
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
N-[[1-(5-fluoropentyl)piperidin-3-yl]methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 131945640
3-methyl-4-oxo-N-[[(3R)-1-propylpiperidin-3-yl]methyl]phthalazine-1-carboxamide
CID 95231092
2-ethoxy-N-[(1-ethylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 51099499
4-fluoro-2-hydroxy-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 125166360

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 118795747) is N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is O=C(NCC1CCCN(CCO)C1)c1cccn2cnnc12.
What is the InChIKey of N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is ZNHYSQKUUFNWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-8-7-19-5-1-3-12(10-19)9-16-15(22)13-4-2-6-20-11-17-18-14(13)20/h2,4,6,11-12,21H,1,3,5,7-10H2,(H,16,22).
What are the key properties of N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)piperidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 118795747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).