(5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone

C16H20N6O — CID 56778576

IUPAC(5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCC(Nc3ccc(C)nn3)CC2)cn1
InChIInChI=1S/C16H20N6O/c1-11-3-4-15(21-20-11)19-13-5-7-22(8-6-13)16(23)14-10-17-12(2)9-18-14/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,21)
InChIKeyILGAKSYEAVVANT-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.60
Rot. Bonds3

About (5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone

(5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone (PubChem CID 56778576) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
PubChem CID56778576
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name(5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCC(Nc3ccc(C)nn3)CC2)cn1
InChIInChI=1S/C16H20N6O/c1-11-3-4-15(21-20-11)19-13-5-7-22(8-6-13)16(23)14-10-17-12(2)9-18-14/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,21)
InChIKeyILGAKSYEAVVANT-UHFFFAOYSA-N
XLogP1.60
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56778575
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56778589
[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 126887972
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56778579
[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-(oxolan-3-yl)methanone
CID 56778602
[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]-phenylmethanone
CID 38175380
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
N-[3-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]-3-oxopropyl]methanesulfonamide
CID 56802128
[5-(cycloheptylamino)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278127
5-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]amino]pyrazine-2-carboxylic acid
CID 122053880
(5-methylpyrazin-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 86284339
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 122279513

Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone (CID 56778576) is (5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone is Cc1cnc(C(=O)N2CCC(Nc3ccc(C)nn3)CC2)cn1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone?
The InChIKey is ILGAKSYEAVVANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-11-3-4-15(21-20-11)19-13-5-7-22(8-6-13)16(23)14-10-17-12(2)9-18-14/h3-4,9-10,13H,5-8H2,1-2H3,(H,19,21).
What are the key properties of (5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone has a molecular weight of 312.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[4-[(6-methylpyridazin-3-yl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 56778576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).