N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide

C16H20N6O2 — CID 110123583

IUPACN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide
SMILESCN(CC1(O)CCCN(c2cnccn2)C1)C(=O)c1ccnnc1
InChIInChI=1S/C16H20N6O2/c1-21(15(23)13-3-5-19-20-9-13)11-16(24)4-2-8-22(12-16)14-10-17-6-7-18-14/h3,5-7,9-10,24H,2,4,8,11-12H2,1H3
InChIKeyLETLGSJDPDCBTP-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.37
Rot. Bonds4

About N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide

N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide (PubChem CID 110123583) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide
PubChem CID110123583
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide
SMILESCN(CC1(O)CCCN(c2cnccn2)C1)C(=O)c1ccnnc1
InChIInChI=1S/C16H20N6O2/c1-21(15(23)13-3-5-19-20-9-13)11-16(24)4-2-8-22(12-16)14-10-17-6-7-18-14/h3,5-7,9-10,24H,2,4,8,11-12H2,1H3
InChIKeyLETLGSJDPDCBTP-UHFFFAOYSA-N
XLogP0.37
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide (CID 110123583) is N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide is CN(CC1(O)CCCN(c2cnccn2)C1)C(=O)c1ccnnc1.
What is the InChIKey of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide?
The InChIKey is LETLGSJDPDCBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-21(15(23)13-3-5-19-20-9-13)11-16(24)4-2-8-22(12-16)14-10-17-6-7-18-14/h3,5-7,9-10,24H,2,4,8,11-12H2,1H3.
What are the key properties of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide?
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 110123583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).