N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine

C18H20N6 — CID 95599803

IUPACN-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
SMILESCN(c1cnc2ccccc2n1)[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C18H20N6/c1-23(18-12-19-15-7-2-3-8-16(15)21-18)14-6-5-11-24(13-14)17-9-4-10-20-22-17/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m1/s1
InChIKeyAQRXRPZWMCKXAN-CQSZACIVSA-N
MW320.40 g/mol
LogP2.53
Rot. Bonds3

About N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine

N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine (PubChem CID 95599803) has the molecular formula C18H20N6 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
PubChem CID95599803
Molecular FormulaC18H20N6
Molecular Weight320.40 g/mol
Exact Mass320.17
IUPAC NameN-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
SMILESCN(c1cnc2ccccc2n1)[C@@H]1CCCN(c2cccnn2)C1
InChIInChI=1S/C18H20N6/c1-23(18-12-19-15-7-2-3-8-16(15)21-18)14-6-5-11-24(13-14)17-9-4-10-20-22-17/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m1/s1
InChIKeyAQRXRPZWMCKXAN-CQSZACIVSA-N
XLogP2.53
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281138
N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281123
N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145
6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 167988818
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrazin-2-amine
CID 133281189
N-methyl-N-[[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 95599819
7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine
CID 133281180
N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281117
N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133443297
6-tert-butylsulfonyl-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-3-amine
CID 133379059
5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 133281186
(3R)-N-methyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95334723

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine?
The IUPAC name of N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine (CID 95599803) is N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine.
What is the SMILES notation for N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine?
The canonical SMILES for N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine is CN(c1cnc2ccccc2n1)[C@@H]1CCCN(c2cccnn2)C1.
What is the InChIKey of N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine?
The InChIKey is AQRXRPZWMCKXAN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N6/c1-23(18-12-19-15-7-2-3-8-16(15)21-18)14-6-5-11-24(13-14)17-9-4-10-20-22-17/h2-4,7-10,12,14H,5-6,11,13H2,1H3/t14-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine?
N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine has a molecular weight of 320.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine is sourced from PubChem (CID 95599803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).