N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

C19H25N5O2 — CID 53203933

IUPACN-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C19H25N5O2/c1-22(11-8-16-7-3-4-9-20-16)19(26)15-6-5-10-24(14-15)17-12-18(25)23(2)21-13-17/h3-4,7,9,12-13,15H,5-6,8,10-11,14H2,1-2H3
InChIKeyYFTWTFWGACLEPQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.09
Rot. Bonds5

About N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 53203933) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID53203933
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCN(CCc1ccccn1)C(=O)C1CCCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C19H25N5O2/c1-22(11-8-16-7-3-4-9-20-16)19(26)15-6-5-10-24(14-15)17-12-18(25)23(2)21-13-17/h3-4,7,9,12-13,15H,5-6,8,10-11,14H2,1-2H3
InChIKeyYFTWTFWGACLEPQ-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 53203933) is N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is CN(CCc1ccccn1)C(=O)C1CCCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is YFTWTFWGACLEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-22(11-8-16-7-3-4-9-20-16)19(26)15-6-5-10-24(14-15)17-12-18(25)23(2)21-13-17/h3-4,7,9,12-13,15H,5-6,8,10-11,14H2,1-2H3.
What are the key properties of N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 53203933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).