N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide

C19H25N5O — CID 95216045

IUPACN-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
SMILESC=Cn1cc(CN2CCC[C@@H](CNC(=O)c3cncc(C)c3)C2)cn1
InChIInChI=1S/C19H25N5O/c1-3-24-14-17(10-22-24)13-23-6-4-5-16(12-23)9-21-19(25)18-7-15(2)8-20-11-18/h3,7-8,10-11,14,16H,1,4-6,9,12-13H2,2H3,(H,21,25)/t16-/m0/s1
InChIKeyIJFOSMUGBBINSS-INIZCTEOSA-N
MW339.44 g/mol
LogP2.33
Rot. Bonds6

About N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide

N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide (PubChem CID 95216045) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
PubChem CID95216045
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
SMILESC=Cn1cc(CN2CCC[C@@H](CNC(=O)c3cncc(C)c3)C2)cn1
InChIInChI=1S/C19H25N5O/c1-3-24-14-17(10-22-24)13-23-6-4-5-16(12-23)9-21-19(25)18-7-15(2)8-20-11-18/h3,7-8,10-11,14,16H,1,4-6,9,12-13H2,2H3,(H,21,25)/t16-/m0/s1
InChIKeyIJFOSMUGBBINSS-INIZCTEOSA-N
XLogP2.33
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95211495
4-cyano-N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95216743
N-[[1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]-2,3-dimethylbenzamide
CID 56753509
1-cyclopentyl-3-[[(3R)-1-[(1-ethenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]urea
CID 95204025
N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97278122
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008
N-[(1-propylpiperidin-3-yl)methyl]pyrimidine-5-carboxamide
CID 118783160
N-[(3-aminocyclopentyl)methyl]-5-methylpyridine-3-carboxamide
CID 106121875
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide (CID 95216045) is N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide is C=Cn1cc(CN2CCC[C@@H](CNC(=O)c3cncc(C)c3)C2)cn1.
What is the InChIKey of N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide?
The InChIKey is IJFOSMUGBBINSS-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N5O/c1-3-24-14-17(10-22-24)13-23-6-4-5-16(12-23)9-21-19(25)18-7-15(2)8-20-11-18/h3,7-8,10-11,14,16H,1,4-6,9,12-13H2,2H3,(H,21,25)/t16-/m0/s1.
What are the key properties of N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide?
N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 95216045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).