N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C21H24N4O2 — CID 55787663

IUPACN-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)CCc3c(C)nn(C)c3C)cn2)cc1
InChIInChI=1S/C21H24N4O2/c1-14-5-8-18(9-6-14)27-21-12-7-17(13-22-21)23-20(26)11-10-19-15(2)24-25(4)16(19)3/h5-9,12-13H,10-11H2,1-4H3,(H,23,26)
InChIKeyRNXNKRFUHVQJOA-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.10
Rot. Bonds6

About N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 55787663) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID55787663
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1ccc(Oc2ccc(NC(=O)CCc3c(C)nn(C)c3C)cn2)cc1
InChIInChI=1S/C21H24N4O2/c1-14-5-8-18(9-6-14)27-21-12-7-17(13-22-21)23-20(26)11-10-19-15(2)24-25(4)16(19)3/h5-9,12-13H,10-11H2,1-4H3,(H,23,26)
InChIKeyRNXNKRFUHVQJOA-UHFFFAOYSA-N
XLogP4.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55713823
N-(6-amino-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119515818
4-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide;dihydrochloride
CID 119852380
N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 38449993
3-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]butanamide
CID 119852373
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51334690
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
N-(2-methyl-1-benzofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 131942160
3-[3-[(1R)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]-N-[6-(4-methylphenoxy)-3-pyridinyl]propanamide
CID 96528492
N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989575
4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194101
N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17499400

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 55787663) is N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1ccc(Oc2ccc(NC(=O)CCc3c(C)nn(C)c3C)cn2)cc1.
What is the InChIKey of N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is RNXNKRFUHVQJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-5-8-18(9-6-14)27-21-12-7-17(13-22-21)23-20(26)11-10-19-15(2)24-25(4)16(19)3/h5-9,12-13H,10-11H2,1-4H3,(H,23,26).
What are the key properties of N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 364.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylphenoxy)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 55787663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).