6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide

C22H26N4O3 — CID 92627441

IUPAC6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)c(=O)[nH]2)c1
InChIInChI=1S/C22H26N4O3/c1-13(11-19-14(2)25-26(4)15(19)3)23-21(27)18-9-10-20(24-22(18)28)16-7-6-8-17(12-16)29-5/h6-10,12-13H,11H2,1-5H3,(H,23,27)(H,24,28)/t13-/m0/s1
InChIKeyTVDPDTFVWWOVGY-ZDUSSCGKSA-N
MW394.48 g/mol
LogP2.76
Rot. Bonds6

About 6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide

6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide (PubChem CID 92627441) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide
PubChem CID92627441
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)c(=O)[nH]2)c1
InChIInChI=1S/C22H26N4O3/c1-13(11-19-14(2)25-26(4)15(19)3)23-21(27)18-9-10-20(24-22(18)28)16-7-6-8-17(12-16)29-5/h6-10,12-13H,11H2,1-5H3,(H,23,27)(H,24,28)/t13-/m0/s1
InChIKeyTVDPDTFVWWOVGY-ZDUSSCGKSA-N
XLogP2.76
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide (CID 92627441) is 6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide is COc1cccc(-c2ccc(C(=O)N[C@@H](C)Cc3c(C)nn(C)c3C)c(=O)[nH]2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide?
The InChIKey is TVDPDTFVWWOVGY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-13(11-19-14(2)25-26(4)15(19)3)23-21(27)18-9-10-20(24-22(18)28)16-7-6-8-17(12-16)29-5/h6-10,12-13H,11H2,1-5H3,(H,23,27)(H,24,28)/t13-/m0/s1.
What are the key properties of 6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide?
6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-2-oxo-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 92627441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).