2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen

C17H30N4O — CID 166112098

IUPAC2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen
SMILESCC(C)C(=O)NCC1CCN(c2ccc(C(C)C)nn2)CC1.[H][H]
InChIInChI=1S/C17H28N4O.H2/c1-12(2)15-5-6-16(20-19-15)21-9-7-14(8-10-21)11-18-17(22)13(3)4;/h5-6,12-14H,7-11H2,1-4H3,(H,18,22);1H
InChIKeyMBRUFVVYVXCALS-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.83
Rot. Bonds5

About 2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen

2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen (PubChem CID 166112098) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen.

Molecular Properties

Compound Name2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen
PubChem CID166112098
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen
SMILESCC(C)C(=O)NCC1CCN(c2ccc(C(C)C)nn2)CC1.[H][H]
InChIInChI=1S/C17H28N4O.H2/c1-12(2)15-5-6-16(20-19-15)21-9-7-14(8-10-21)11-18-17(22)13(3)4;/h5-6,12-14H,7-11H2,1-4H3,(H,18,22);1H
InChIKeyMBRUFVVYVXCALS-UHFFFAOYSA-N
XLogP2.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen?
The IUPAC name of 2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen (CID 166112098) is 2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen.
What is the SMILES notation for 2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen?
The canonical SMILES for 2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen is CC(C)C(=O)NCC1CCN(c2ccc(C(C)C)nn2)CC1.[H][H].
What is the InChIKey of 2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen?
The InChIKey is MBRUFVVYVXCALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.H2/c1-12(2)15-5-6-16(20-19-15)21-9-7-14(8-10-21)11-18-17(22)13(3)4;/h5-6,12-14H,7-11H2,1-4H3,(H,18,22);1H.
What are the key properties of 2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen?
2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen has a molecular weight of 306.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen is sourced from PubChem (CID 166112098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).