2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide

C17H24N6O — CID 167826169

IUPAC2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide
SMILESCc1ccn(CC(C)C(=O)Nc2cncc(N3CCNCC3)c2)n1
InChIInChI=1S/C17H24N6O/c1-13(12-23-6-3-14(2)21-23)17(24)20-15-9-16(11-19-10-15)22-7-4-18-5-8-22/h3,6,9-11,13,18H,4-5,7-8,12H2,1-2H3,(H,20,24)
InChIKeyXPGLGOKKSQNJQR-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.27
Rot. Bonds5

About 2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide

2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide (PubChem CID 167826169) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide
PubChem CID167826169
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide
SMILESCc1ccn(CC(C)C(=O)Nc2cncc(N3CCNCC3)c2)n1
InChIInChI=1S/C17H24N6O/c1-13(12-23-6-3-14(2)21-23)17(24)20-15-9-16(11-19-10-15)22-7-4-18-5-8-22/h3,6,9-11,13,18H,4-5,7-8,12H2,1-2H3,(H,20,24)
InChIKeyXPGLGOKKSQNJQR-UHFFFAOYSA-N
XLogP1.27
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide?
The IUPAC name of 2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide (CID 167826169) is 2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide.
What is the SMILES notation for 2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide?
The canonical SMILES for 2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide is Cc1ccn(CC(C)C(=O)Nc2cncc(N3CCNCC3)c2)n1.
What is the InChIKey of 2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide?
The InChIKey is XPGLGOKKSQNJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13(12-23-6-3-14(2)21-23)17(24)20-15-9-16(11-19-10-15)22-7-4-18-5-8-22/h3,6,9-11,13,18H,4-5,7-8,12H2,1-2H3,(H,20,24).
What are the key properties of 2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide?
2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide has a molecular weight of 328.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylpyrazol-1-yl)-N-(5-piperazin-1-yl-3-pyridinyl)propanamide is sourced from PubChem (CID 167826169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).