N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide

C21H23N5O2 — CID 70767473

IUPACN-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1O)c1cccnc1
InChIInChI=1S/C21H23N5O2/c27-20-15-25(10-8-19(20)24-21(28)17-5-4-9-22-12-17)13-16-11-23-26(14-16)18-6-2-1-3-7-18/h1-7,9,11-12,14,19-20,27H,8,10,13,15H2,(H,24,28)/t19-,20-/m1/s1
InChIKeyNQAWOZWUCICGJD-WOJBJXKFSA-N
MW377.45 g/mol
LogP1.63
Rot. Bonds5

About N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide

N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 70767473) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID70767473
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1O)c1cccnc1
InChIInChI=1S/C21H23N5O2/c27-20-15-25(10-8-19(20)24-21(28)17-5-4-9-22-12-17)13-16-11-23-26(14-16)18-6-2-1-3-7-18/h1-7,9,11-12,14,19-20,27H,8,10,13,15H2,(H,24,28)/t19-,20-/m1/s1
InChIKeyNQAWOZWUCICGJD-WOJBJXKFSA-N
XLogP1.63
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-(thiophen-3-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 70765365
N-[2-[[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 91839912
N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
CID 164633693
N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide
CID 91840322
N-[(3R,4R)-3-hydroxy-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 70733332
N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97278122
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 100745479
2-[1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648302
N-[3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]pentanamide
CID 166331020
N-methyl-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine;hydrochloride
CID 119923189
N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 134802964
3-[(1-phenylpyrazol-4-yl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927302

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide (CID 70767473) is N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is O=C(N[C@@H]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@H]1O)c1cccnc1.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is NQAWOZWUCICGJD-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-20-15-25(10-8-19(20)24-21(28)17-5-4-9-22-12-17)13-16-11-23-26(14-16)18-6-2-1-3-7-18/h1-7,9,11-12,14,19-20,27H,8,10,13,15H2,(H,24,28)/t19-,20-/m1/s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70767473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).