N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide

C22H24FN5O — CID 97278122

IUPACN-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@H]1CCCN(Cc2cnn(-c3ccccc3F)c2)C1)c1cccnc1
InChIInChI=1S/C22H24FN5O/c23-20-7-1-2-8-21(20)28-16-18(12-26-28)15-27-10-4-5-17(14-27)11-25-22(29)19-6-3-9-24-13-19/h1-3,6-9,12-13,16-17H,4-5,10-11,14-15H2,(H,25,29)/t17-/m1/s1
InChIKeyWESMDMXUQGUNSV-QGZVFWFLSA-N
MW393.47 g/mol
LogP3.05
Rot. Bonds6

About N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide

N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 97278122) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID97278122
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC NameN-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NC[C@H]1CCCN(Cc2cnn(-c3ccccc3F)c2)C1)c1cccnc1
InChIInChI=1S/C22H24FN5O/c23-20-7-1-2-8-21(20)28-16-18(12-26-28)15-27-10-4-5-17(14-27)11-25-22(29)19-6-3-9-24-13-19/h1-3,6-9,12-13,16-17H,4-5,10-11,14-15H2,(H,25,29)/t17-/m1/s1
InChIKeyWESMDMXUQGUNSV-QGZVFWFLSA-N
XLogP3.05
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 70767473
N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]thiophene-2-carboxamide
CID 42404413
N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 45195444
N-[[(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 42216008
N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95216045
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
trans-(1R,2R)-2-phenyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 97212321

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide (CID 97278122) is N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide is O=C(NC[C@H]1CCCN(Cc2cnn(-c3ccccc3F)c2)C1)c1cccnc1.
What is the InChIKey of N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is WESMDMXUQGUNSV-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24FN5O/c23-20-7-1-2-8-21(20)28-16-18(12-26-28)15-27-10-4-5-17(14-27)11-25-22(29)19-6-3-9-24-13-19/h1-3,6-9,12-13,16-17H,4-5,10-11,14-15H2,(H,25,29)/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 97278122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).