N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

C22H24N4O3 — CID 118663182

IUPACN-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-13-23-20(22(28)25-19-7-10-29-14-21(19)27)12-17(15)11-16-3-5-18(6-4-16)26-9-2-8-24-26/h2-6,8-9,12-13,19,21,27H,7,10-11,14H2,1H3,(H,25,28)/t19-,21-/m0/s1
InChIKeyHARBEESYXGLNFQ-FPOVZHCZSA-N
MW392.46 g/mol
LogP2.05
Rot. Bonds5

About N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 118663182) 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]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
PubChem CID118663182
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C22H24N4O3/c1-15-13-23-20(22(28)25-19-7-10-29-14-21(19)27)12-17(15)11-16-3-5-18(6-4-16)26-9-2-8-24-26/h2-6,8-9,12-13,19,21,27H,7,10-11,14H2,1H3,(H,25,28)/t19-,21-/m0/s1
InChIKeyHARBEESYXGLNFQ-FPOVZHCZSA-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

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Related Compounds

CID 68291755
CID 68291755
CID 124203829
CID 124203829
CID 127038324
CID 127038324
CID 5309237
CID 5309237
CID 117937644
CID 117937644
CID 118663151
CID 118663151
CID 146487675
CID 146487675
CID 146487777
CID 146487777
CID 146487795
CID 146487795
CID 146487799
CID 146487799
CID 146552409
CID 146552409
CID 162475025
CID 162475025

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (CID 118663182) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is Cc1cnc(C(=O)N[C@H]2CCOC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is HARBEESYXGLNFQ-FPOVZHCZSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-13-23-20(22(28)25-19-7-10-29-14-21(19)27)12-17(15)11-16-3-5-18(6-4-16)26-9-2-8-24-26/h2-6,8-9,12-13,19,21,27H,7,10-11,14H2,1H3,(H,25,28)/t19-,21-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-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]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 118663182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).