N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine

C19H21N5O — CID 168936957

IUPACN-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine
SMILESCc1cc(CNc2cnccc2O[C@@H]2CCNC2)cc2nccnc12
InChIInChI=1S/C19H21N5O/c1-13-8-14(9-16-19(13)23-7-6-22-16)10-24-17-12-21-5-3-18(17)25-15-2-4-20-11-15/h3,5-9,12,15,20,24H,2,4,10-11H2,1H3/t15-/m1/s1
InChIKeyLXAIGHVROISVMC-OAHLLOKOSA-N
MW335.41 g/mol
LogP2.69
Rot. Bonds5

About N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine

N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine (PubChem CID 168936957) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine.

Molecular Properties

Compound NameN-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine
PubChem CID168936957
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine
SMILESCc1cc(CNc2cnccc2O[C@@H]2CCNC2)cc2nccnc12
InChIInChI=1S/C19H21N5O/c1-13-8-14(9-16-19(13)23-7-6-22-16)10-24-17-12-21-5-3-18(17)25-15-2-4-20-11-15/h3,5-9,12,15,20,24H,2,4,10-11H2,1H3/t15-/m1/s1
InChIKeyLXAIGHVROISVMC-OAHLLOKOSA-N
XLogP2.69
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine
CID 168937091
N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine
CID 168937285
3-chloro-4-pyrrolidin-3-yloxypyridine
CID 79840362
4-methyl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561492
3-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 70102226
N-(1H-pyrazol-5-ylmethyl)-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
CID 154771306
5-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyrimidine
CID 95031425
N-[(2-ethylpyrazol-3-yl)methyl]-1-[3-[(3S)-pyrrolidin-3-yl]oxy-4-pyridinyl]methanamine
CID 167974128
4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937135
4-(azetidin-3-yloxy)-N-[(8-chloroquinoxalin-6-yl)methyl]-1,2-dihydropyridin-5-amine
CID 168937315
2-methyl-5-pyrrolidin-3-yloxypyridine;dihydrochloride
CID 86775669
3-(5-methoxy-2-methylphenoxy)pyrrolidine
CID 84675320

Frequently Asked Questions

What is the IUPAC name of N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine?
The IUPAC name of N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine (CID 168936957) is N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine.
What is the SMILES notation for N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine?
The canonical SMILES for N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine is Cc1cc(CNc2cnccc2O[C@@H]2CCNC2)cc2nccnc12.
What is the InChIKey of N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine?
The InChIKey is LXAIGHVROISVMC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-8-14(9-16-19(13)23-7-6-22-16)10-24-17-12-21-5-3-18(17)25-15-2-4-20-11-15/h3,5-9,12,15,20,24H,2,4,10-11H2,1H3/t15-/m1/s1.
What are the key properties of N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine?
N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine has a molecular weight of 335.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine is sourced from PubChem (CID 168936957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).