4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine

C19H22N6 — CID 176561546

IUPAC4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
SMILESCNC1CCN(c2ccncc2NCc2ccc3nccnc3c2)C1
InChIInChI=1S/C19H22N6/c1-20-15-5-9-25(13-15)19-4-6-21-12-18(19)24-11-14-2-3-16-17(10-14)23-8-7-22-16/h2-4,6-8,10,12,15,20,24H,5,9,11,13H2,1H3
InChIKeySEFXBTZYSSVLII-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.43
Rot. Bonds5

About 4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine

4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine (PubChem CID 176561546) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
PubChem CID176561546
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
SMILESCNC1CCN(c2ccncc2NCc2ccc3nccnc3c2)C1
InChIInChI=1S/C19H22N6/c1-20-15-5-9-25(13-15)19-4-6-21-12-18(19)24-11-14-2-3-16-17(10-14)23-8-7-22-16/h2-4,6-8,10,12,15,20,24H,5,9,11,13H2,1H3
InChIKeySEFXBTZYSSVLII-UHFFFAOYSA-N
XLogP2.43
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561606
4-(4-benzylpiperidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 177366099
5-fluoro-4-(3-methylpyrrolidin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561558
4-(3,6-diazabicyclo[3.1.1]heptan-6-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937135
4-methyl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561492
5-methyl-4-(4-methylpiperazin-1-yl)-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561696
N-methyl-1-(3-nitro-4-pyridinyl)pyrrolidin-3-amine
CID 115300967
(3S)-1-(6-methoxyquinolin-4-yl)-N-methylpyrrolidin-3-amine
CID 66954288
N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 44547719
N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75048000
4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)quinolin-3-amine
CID 168937210
2-phosphanyl-4-piperazin-1-yl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 168937037

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine (CID 176561546) is 4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The canonical SMILES for 4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine is CNC1CCN(c2ccncc2NCc2ccc3nccnc3c2)C1.
What is the InChIKey of 4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
The InChIKey is SEFXBTZYSSVLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-20-15-5-9-25(13-15)19-4-6-21-12-18(19)24-11-14-2-3-16-17(10-14)23-8-7-22-16/h2-4,6-8,10,12,15,20,24H,5,9,11,13H2,1H3.
What are the key properties of 4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine?
4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine has a molecular weight of 334.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)pyrrolidin-1-yl]-N-(quinoxalin-6-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 176561546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).