6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide

C22H24N4O3 — CID 159754646

IUPAC6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCc2cnn(C)c2)cc([C@H](O)c2ccccc2)n1
InChIInChI=1S/C22H24N4O3/c1-23-22(29)19-12-17(20(27)10-6-7-15-13-24-26(2)14-15)11-18(25-19)21(28)16-8-4-3-5-9-16/h3-5,8-9,11-14,21,28H,6-7,10H2,1-2H3,(H,23,29)/t21-/m1/s1
InChIKeyCBYUGSOAGGSFEN-OAQYLSRUSA-N
MW392.46 g/mol
LogP2.46
Rot. Bonds8

About 6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide

6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide (PubChem CID 159754646) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide
PubChem CID159754646
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)CCCc2cnn(C)c2)cc([C@H](O)c2ccccc2)n1
InChIInChI=1S/C22H24N4O3/c1-23-22(29)19-12-17(20(27)10-6-7-15-13-24-26(2)14-15)11-18(25-19)21(28)16-8-4-3-5-9-16/h3-5,8-9,11-14,21,28H,6-7,10H2,1-2H3,(H,23,29)/t21-/m1/s1
InChIKeyCBYUGSOAGGSFEN-OAQYLSRUSA-N
XLogP2.46
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide (CID 159754646) is 6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide is CNC(=O)c1cc(C(=O)CCCc2cnn(C)c2)cc([C@H](O)c2ccccc2)n1.
What is the InChIKey of 6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide?
The InChIKey is CBYUGSOAGGSFEN-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-23-22(29)19-12-17(20(27)10-6-7-15-13-24-26(2)14-15)11-18(25-19)21(28)16-8-4-3-5-9-16/h3-5,8-9,11-14,21,28H,6-7,10H2,1-2H3,(H,23,29)/t21-/m1/s1.
What are the key properties of 6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide?
6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-hydroxy(phenyl)methyl]-N-methyl-4-[4-(1-methylpyrazol-4-yl)butanoyl]pyridine-2-carboxamide is sourced from PubChem (CID 159754646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).