N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide

C22H24N4O3 — CID 162646270

IUPACN-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-17(11-16-3-5-19(6-4-16)26-9-2-8-24-26)12-18(13-23-15)22(28)25-20-7-10-29-14-21(20)27/h2-6,8-9,12-13,20-21,27H,7,10-11,14H2,1H3,(H,25,28)/t20-,21-/m0/s1
InChIKeyBHKYRGGQPRITFC-SFTDATJTSA-N
MW392.46 g/mol
LogP2.05
Rot. Bonds5

About N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide

N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 162646270) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
PubChem CID162646270
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1ncc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-17(11-16-3-5-19(6-4-16)26-9-2-8-24-26)12-18(13-23-15)22(28)25-20-7-10-29-14-21(20)27/h2-6,8-9,12-13,20-21,27H,7,10-11,14H2,1H3,(H,25,28)/t20-,21-/m0/s1
InChIKeyBHKYRGGQPRITFC-SFTDATJTSA-N
XLogP2.05
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Mk-2461
CID 44137946
Jak-IN-3
CID 68291755
N-[(2r)-1,4-Dioxan-2-Ylmethyl]-N-Methyl-N'-{5-Oxo-3-[1-(Piperidin-4-Yl)-1h-Pyrazol-4-Yl]-5h-Benzo[4,5]cyclohepta[1,2-B]pyridin-7-Yl}sulfuric Diamide
CID 56593141
PF-06764427, >=98% (Hplc)
CID 124203829
N-[(3R,4S)-3-hydroxyoxan-4-yl]-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 127038324
1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide
CID 25664616
14-[[[(2S)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
CID 53310982
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]pyrrolo[3,2-b]pyridine-3-carboxamide
CID 117937644
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663151
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663182
sEH-IN-12
CID 118902251
4-[[4-(5-carbamoyl-3-pyridinyl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolo[1,2-b]pyridazine-2-carboxamide
CID 146487777

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide (CID 162646270) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide is Cc1ncc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is BHKYRGGQPRITFC-SFTDATJTSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-17(11-16-3-5-19(6-4-16)26-9-2-8-24-26)12-18(13-23-15)22(28)25-20-7-10-29-14-21(20)27/h2-6,8-9,12-13,20-21,27H,7,10-11,14H2,1H3,(H,25,28)/t20-,21-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide?
N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-methyl-5-[(4-pyrazol-1-ylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 162646270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).