N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide

C19H25N5O2 — CID 91907040

IUPACN-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)CC1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C19H25N5O2/c1-22(13-16-5-3-7-20-11-16)18(25)9-15-6-4-8-24(14-15)17-10-19(26)23(2)21-12-17/h3,5,7,10-12,15H,4,6,8-9,13-14H2,1-2H3
InChIKeyOLJBLVXVZOLJOW-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.44
Rot. Bonds5

About N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide

N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 91907040) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID91907040
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCN(Cc1cccnc1)C(=O)CC1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C19H25N5O2/c1-22(13-16-5-3-7-20-11-16)18(25)9-15-6-4-8-24(14-15)17-10-19(26)23(2)21-12-17/h3,5,7,10-12,15H,4,6,8-9,13-14H2,1-2H3
InChIKeyOLJBLVXVZOLJOW-UHFFFAOYSA-N
XLogP1.44
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 91907040) is N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide is CN(Cc1cccnc1)C(=O)CC1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is OLJBLVXVZOLJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22(13-16-5-3-7-20-11-16)18(25)9-15-6-4-8-24(14-15)17-10-19(26)23(2)21-12-17/h3,5,7,10-12,15H,4,6,8-9,13-14H2,1-2H3.
What are the key properties of N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide?
N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 91907040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).