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

C16H20N6O2 — CID 124976345

IUPACN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide
SMILESCN(C[C@@]1(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/t16-/m0/s1
InChIKeyLETLGSJDPDCBTP-INIZCTEOSA-N
MW328.38 g/mol
LogP0.37
Rot. Bonds4

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

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide (PubChem CID 124976345) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide
PubChem CID124976345
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide
SMILESCN(C[C@@]1(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/t16-/m0/s1
InChIKeyLETLGSJDPDCBTP-INIZCTEOSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide (CID 124976345) is N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide is CN(C[C@@]1(O)CCCN(c2cnccn2)C1)C(=O)c1ccnnc1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide?
The InChIKey is LETLGSJDPDCBTP-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide?
N-[[(3R)-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-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 124976345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).