6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide

C21H24N6O2 — CID 156630311

IUPAC6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1
InChIInChI=1S/C21H24N6O2/c1-23-21(28)13-2-7-19(26-12-13)27-15-3-5-16(6-4-15)29-18-11-14(22)10-17-20(18)25-9-8-24-17/h2,7-12,15-16H,3-6,22H2,1H3,(H,23,28)(H,26,27)
InChIKeySJAVZLNFKLWJIX-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.77
Rot. Bonds5

About 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide

6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide (PubChem CID 156630311) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide
PubChem CID156630311
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1
InChIInChI=1S/C21H24N6O2/c1-23-21(28)13-2-7-19(26-12-13)27-15-3-5-16(6-4-15)29-18-11-14(22)10-17-20(18)25-9-8-24-17/h2,7-12,15-16H,3-6,22H2,1H3,(H,23,28)(H,26,27)
InChIKeySJAVZLNFKLWJIX-UHFFFAOYSA-N
XLogP2.77
TPSA115.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-N-[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]pyrimidine-2,5-diamine
CID 160714072
N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]pyridine-3-carboxamide
CID 156673154
6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide;6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3S)-oxolan-3-yl]pyridine-3-carboxamide;2-N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-5-N,5-N-diethylpyrimidine-2,5-diamine;8-[4-[[5-(azetidin-1-yl)pyrimidin-2-yl]amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane
CID 159088201
8-[4-[(5-propan-2-yloxypyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine
CID 156673135
8-[4-[[6-methyl-5-(1,3,4-oxadiazol-2-yl)-2-pyridinyl]amino]cyclohexyl]oxyquinoxalin-6-amine
CID 156673200
N-methyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-2-carboxamide
CID 121335836
8-[4-[(6-chloro-5-fluoropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine
CID 156673091
N,N-dimethyl-6-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]pyridine-3-carboxamide;2-[[4-(7-morpholin-4-ylquinoxalin-5-yl)oxycyclohexyl]amino]-N-[(3R)-oxolan-3-yl]pyrimidine-5-carboxamide
CID 158040088
2-(cyclopropylamino)-N-methylpyridine-4-carboxamide
CID 130666257
4-(7-aminoquinoxalin-5-yl)oxycyclohexane-1-carboxylic acid;8-[4-[(6-chloropyridazin-3-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;methyl 4-(7-aminoquinoxalin-5-yl)oxycyclohexane-1-carboxylate;8-[4-[(6-methylpyrazin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;8-(4-pyrimidin-2-yloxycyclohexyl)oxyquinoxalin-6-amine;5-N-(4-pyrimidin-2-yloxycyclohexyl)quinoxaline-5,7-diamine
CID 160648965
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
8-[4-[(6-chloropyrimidin-4-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;ethoxyethane;8-[4-[(5-fluoropyrimidin-2-yl)amino]cyclohexyl]oxyquinoxalin-6-amine;methyl 5-[[4-[(7-aminoquinoxalin-5-yl)amino]cyclohexyl]amino]pyrazine-2-carboxylate;8-[4-(pyrazin-2-ylamino)cyclohexyl]oxyquinoxalin-6-amine;8-[4-(pyrimidin-2-ylamino)cyclohexyl]oxyquinoxalin-6-amine
CID 158838158

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide (CID 156630311) is 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)nc1.
What is the InChIKey of 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide?
The InChIKey is SJAVZLNFKLWJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-23-21(28)13-2-7-19(26-12-13)27-15-3-5-16(6-4-15)29-18-11-14(22)10-17-20(18)25-9-8-24-17/h2,7-12,15-16H,3-6,22H2,1H3,(H,23,28)(H,26,27).
What are the key properties of 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide?
6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]amino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 156630311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).