N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

C21H31N5O — CID 75451444

IUPACN-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cc(NC(=O)C(C)c2c(C)nn(C)c2C)cnc1N1CCCCC1C
InChIInChI=1S/C21H31N5O/c1-13-11-18(12-22-20(13)26-10-8-7-9-14(26)2)23-21(27)15(3)19-16(4)24-25(6)17(19)5/h11-12,14-15H,7-10H2,1-6H3,(H,23,27)
InChIKeyYFJRYRBXUGFIFN-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.86
Rot. Bonds4

About N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 75451444) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID75451444
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC NameN-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cc(NC(=O)C(C)c2c(C)nn(C)c2C)cnc1N1CCCCC1C
InChIInChI=1S/C21H31N5O/c1-13-11-18(12-22-20(13)26-10-8-7-9-14(26)2)23-21(27)15(3)19-16(4)24-25(6)17(19)5/h11-12,14-15H,7-10H2,1-6H3,(H,23,27)
InChIKeyYFJRYRBXUGFIFN-UHFFFAOYSA-N
XLogP3.86
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 75451444) is N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1cc(NC(=O)C(C)c2c(C)nn(C)c2C)cnc1N1CCCCC1C.
What is the InChIKey of N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is YFJRYRBXUGFIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-13-11-18(12-22-20(13)26-10-8-7-9-14(26)2)23-21(27)15(3)19-16(4)24-25(6)17(19)5/h11-12,14-15H,7-10H2,1-6H3,(H,23,27).
What are the key properties of N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 369.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-6-(2-methylpiperidin-1-yl)-3-pyridinyl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 75451444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).